(S)-[4-(3-chlorophenyl)cyclohexyl]-(6-propan-2-ylimidazo[1,5-a]pyridin-5-yl)methanol

C23H27ClN2O — CID 134381739

About (S)-[4-(3-chlorophenyl)cyclohexyl]-(6-propan-2-ylimidazo[1,5-a]pyridin-5-yl)methanol

(S)-[4-(3-chlorophenyl)cyclohexyl]-(6-propan-2-ylimidazo[1,5-a]pyridin-5-yl)methanol (PubChem CID 134381739) has the molecular formula C23H27ClN2O and a molecular weight of 382.94 g/mol. Its IUPAC name is (S)-[4-(3-chlorophenyl)cyclohexyl]-(6-propan-2-ylimidazo[1,5-a]pyridin-5-yl)methanol.

Molecular Properties

• Compound Name: (S)-[4-(3-chlorophenyl)cyclohexyl]-(6-propan-2-ylimidazo[1,5-a]pyridin-5-yl)methanol
• PubChem CID: 134381739
• Molecular Formula: C23H27ClN2O
• Molecular Weight: 382.94 g/mol
• Exact Mass: 382.18
• IUPAC Name: (S)-[4-(3-chlorophenyl)cyclohexyl]-(6-propan-2-ylimidazo[1,5-a]pyridin-5-yl)methanol
• SMILES: CC(C)c1ccc2cncn2c1[C@@H](O)C1CCC(c2cccc(Cl)c2)CC1
• InChI: InChI=1S/C23H27ClN2O/c1-15(2)21-11-10-20-13-25-14-26(20)22(21)23(27)17-8-6-16(7-9-17)18-4-3-5-19(24)12-18/h3-5,10-17,23,27H,6-9H2,1-2H3/t16?,17?,23-/m0/s1
• InChIKey: PWXRENVSGAYPLX-OCJFHSIUSA-N
• XLogP: 6.12
• TPSA: 37.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	382.94
LogP ≤ 5	6.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (S)-[4-(3-chlorophenyl)cyclohexyl]-(6-propan-2-ylimidazo[1,5-a]pyridin-5-yl)methanol?

The IUPAC name of (S)-[4-(3-chlorophenyl)cyclohexyl]-(6-propan-2-ylimidazo[1,5-a]pyridin-5-yl)methanol (CID 134381739) is (S)-[4-(3-chlorophenyl)cyclohexyl]-(6-propan-2-ylimidazo[1,5-a]pyridin-5-yl)methanol.

What is the SMILES notation for (S)-[4-(3-chlorophenyl)cyclohexyl]-(6-propan-2-ylimidazo[1,5-a]pyridin-5-yl)methanol?

The canonical SMILES for (S)-[4-(3-chlorophenyl)cyclohexyl]-(6-propan-2-ylimidazo[1,5-a]pyridin-5-yl)methanol is CC(C)c1ccc2cncn2c1[C@@H](O)C1CCC(c2cccc(Cl)c2)CC1.

What is the InChIKey of (S)-[4-(3-chlorophenyl)cyclohexyl]-(6-propan-2-ylimidazo[1,5-a]pyridin-5-yl)methanol?

The InChIKey is PWXRENVSGAYPLX-OCJFHSIUSA-N. The full InChI is InChI=1S/C23H27ClN2O/c1-15(2)21-11-10-20-13-25-14-26(20)22(21)23(27)17-8-6-16(7-9-17)18-4-3-5-19(24)12-18/h3-5,10-17,23,27H,6-9H2,1-2H3/t16?,17?,23-/m0/s1.

What are the key properties of (S)-[4-(3-chlorophenyl)cyclohexyl]-(6-propan-2-ylimidazo[1,5-a]pyridin-5-yl)methanol?

(S)-[4-(3-chlorophenyl)cyclohexyl]-(6-propan-2-ylimidazo[1,5-a]pyridin-5-yl)methanol has a molecular weight of 382.94 g/mol, XLogP of 6.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (S)-[4-(3-chlorophenyl)cyclohexyl]-(6-propan-2-ylimidazo[1,5-a]pyridin-5-yl)methanol is sourced from PubChem (CID 134381739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).