TL;DR: (E)-9a-(2-(3-(4-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)vinyl)-7,9,9-trimethyl-9,9a-dihydro-1H-imidazo[1,2-a]indol-2(3H)-one (CAS 1010865-02-7) is a chemical compound with molecular formula C32H32N4O2 and molecular weight 504.25253 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3a-[(E)-2-[3-(4-ethoxyphenyl)-1-phenylpyrazol-4-yl]ethenyl]-4,4,6-trimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one
Also Known As: (E)-9a-(2-(3-(4-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)vinyl)-7,9,9-trimethyl-9,9a-dihydro-1H-imidazo[1,2-a]indol-2(3H)-one, 3a-[(E)-2-[3-(4-ethoxyphenyl)-1-phenylpyrazol-4-yl]ethenyl]-4,4,6-trimethyl-1,3-dihydroimidazo[1,2-a]indol-2-one, 9a-{(E)-2-[3-(4-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]ethenyl}-7,9,9-trimethyl-9,9a-dihydro-1H-imidazo[1,2-a]indol-2(3H)-one
| Molecular Formula | C32H32N4O2 |
| Molecular Weight | 504.25253 g/mol |
| XLogP | 6.5 |
| Topological Polar Surface Area (TPSA) | 59.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 504.25253 Da |
| Heavy Atoms | 38 |
| Complexity | 877.0 |
| SMILES | CCOC1=CC=C(C=C1)C2=NN(C=C2/C=C/C34C(C5=C(N3CC(=O)N4)C=CC(=C5)C)(C)C)C6=CC=CC=C6 |
| InChIKey | IQQXAUKHRZFQSR-ISLYRVAYSA-N |
The XLogP value of 6.5 indicates that (E)-9a-(2-(3-(4-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)vinyl)-7,9,9-trimethyl-9,9a-dihydro-1H-imidazo[1,2-a]indol-2(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.4 Ų, (E)-9a-(2-(3-(4-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)vinyl)-7,9,9-trimethyl-9,9a-dihydro-1H-imidazo[1,2-a]indol-2(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-9a-(2-(3-(4-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)vinyl)-7,9,9-trimethyl-9,9a-dihydro-1H-imidazo[1,2-a]indol-2(3H)-one has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of (E)-9a-(2-(3-(4-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)vinyl)-7,9,9-trimethyl-9,9a-dihydro-1H-imidazo[1,2-a]indol-2(3H)-one is 1010865-02-7.
The molecular formula of (E)-9a-(2-(3-(4-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)vinyl)-7,9,9-trimethyl-9,9a-dihydro-1H-imidazo[1,2-a]indol-2(3H)-one is C32H32N4O2.
The molecular weight of (E)-9a-(2-(3-(4-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)vinyl)-7,9,9-trimethyl-9,9a-dihydro-1H-imidazo[1,2-a]indol-2(3H)-one is 504.25253 g/mol.
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