![(2E)-3-{2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}-2-cyano-N-ethylprop-2-enamide structure](/static/products/116/1164496-61-0.webp)
(2E)-3-{2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}-2-cyano-N-ethylprop-2-enamide
TL;DR: (2E)-3-{2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}-2-cyano-N-ethylprop-2-enamide (CAS 1164496-61-0) is a chemical compound with molecular formula C27H28N6O4 and molecular weight 500.2172 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-3-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-ethylprop-2-enamide
Also Known As: (2E)-3-{2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}-2-cyano-N-ethylprop-2-enamide, (E)-3-(2-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-2-cyano-N-ethylacrylamide, (E)-3-[2-(4-Benzo[1,3]dioxol-5-ylmethyl-piperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-ethyl-acrylamide, (E)-3-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-ethylprop-2-enamide
Technical Specifications
| Molecular Formula | C27H28N6O4 |
| Molecular Weight | 500.2172 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 111.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 500.2172 Da |
| Heavy Atoms | 37 |
| Complexity | 1150.0 |
| SMILES | CCNC(=O)/C(=C/C1=C(N=C2C(=CC=CN2C1=O)C)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)/C#N |
| InChIKey | VHRZIJBGPKJSGQ-XSFVSMFZSA-N |
Chemical Property Profile of (2E)-3-{2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}-2-cyano-N-ethylprop-2-enamide
Property Insights of (2E)-3-{2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}-2-cyano-N-ethylprop-2-enamide
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-3-{2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}-2-cyano-N-ethylprop-2-enamide. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-3-{2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}-2-cyano-N-ethylprop-2-enamide. Following Lipinski's Rule of Five, (2E)-3-{2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}-2-cyano-N-ethylprop-2-enamide has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of (2E)-3-{2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}-2-cyano-N-ethylprop-2-enamide?
The CAS number of (2E)-3-{2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}-2-cyano-N-ethylprop-2-enamide is 1164496-61-0.
What is the molecular formula of (2E)-3-{2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}-2-cyano-N-ethylprop-2-enamide?
The molecular formula of (2E)-3-{2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}-2-cyano-N-ethylprop-2-enamide is C27H28N6O4.
What is the molecular weight of (2E)-3-{2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}-2-cyano-N-ethylprop-2-enamide?
The molecular weight of (2E)-3-{2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}-2-cyano-N-ethylprop-2-enamide is 500.2172 g/mol.
Where can I buy (2E)-3-{2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}-2-cyano-N-ethylprop-2-enamide?
You can request a quote for (2E)-3-{2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}-2-cyano-N-ethylprop-2-enamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (2E)-3-{2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}-2-cyano-N-ethylprop-2-enamide?
Yes, CoreyChem provides custom synthesis services for (2E)-3-{2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}-2-cyano-N-ethylprop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.