TL;DR: E-N,N-dimethyl-N'-(11H-pyrimido[5',4':5,6]pyrido[4,3-b]indol-1-yl)formimidamide (CAS 1174495-57-8) is a chemical compound with molecular formula C16H14N6 and molecular weight 290.128 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N,N-dimethyl-N'-(4,6,8,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,3,5,7,9,11,13,15-octaen-3-yl)methanimidamide
Also Known As: E-N,N-dimethyl-N'-(11H-pyrimido[5',4':5,6]pyrido[4,3-b]indol-1-yl)formimidamide, (E)-N,N-dimethyl-N'-(11H-pyrimido[5',4':5,6]pyrido[4,3-b]indol-1-yl)formimidamide, N,N-dimethyl-N'-11H-pyrimido[5',4':5,6]pyrido[4,3-b]indol-1-ylimidoformamide
| Molecular Formula | C16H14N6 |
| Molecular Weight | 290.128 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 70.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 290.128 Da |
| Heavy Atoms | 22 |
| Complexity | 425.0 |
| SMILES | CN(C)C=NC1=NC=NC2=NC=C3C4=CC=CC=C4NC3=C21 |
| InChIKey | MTBZIJQPBHTKJC-UHFFFAOYSA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for E-N,N-dimethyl-N'-(11H-pyrimido[5',4':5,6]pyrido[4,3-b]indol-1-yl)formimidamide. The TPSA of 70.1 Ų falls within the moderate polarity range, balancing permeability and solubility for E-N,N-dimethyl-N'-(11H-pyrimido[5',4':5,6]pyrido[4,3-b]indol-1-yl)formimidamide. Following Lipinski's Rule of Five, E-N,N-dimethyl-N'-(11H-pyrimido[5',4':5,6]pyrido[4,3-b]indol-1-yl)formimidamide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of E-N,N-dimethyl-N'-(11H-pyrimido[5',4':5,6]pyrido[4,3-b]indol-1-yl)formimidamide is 1174495-57-8.
The molecular formula of E-N,N-dimethyl-N'-(11H-pyrimido[5',4':5,6]pyrido[4,3-b]indol-1-yl)formimidamide is C16H14N6.
The molecular weight of E-N,N-dimethyl-N'-(11H-pyrimido[5',4':5,6]pyrido[4,3-b]indol-1-yl)formimidamide is 290.128 g/mol.
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