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

C23H27ClN2O — CID 134381739

IUPAC(S)-[4-(3-chlorophenyl)cyclohexyl]-(6-propan-2-ylimidazo[1,5-a]pyridin-5-yl)methanol
SMILESCC(C)c1ccc2cncn2c1[C@@H](O)C1CCC(c2cccc(Cl)c2)CC1
InChIInChI=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
InChIKeyPWXRENVSGAYPLX-OCJFHSIUSA-N
MW382.94 g/mol
LogP6.12
Rot. Bonds4

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 CID134381739
Molecular FormulaC23H27ClN2O
Molecular Weight382.94 g/mol
Exact Mass382.18
IUPAC Name(S)-[4-(3-chlorophenyl)cyclohexyl]-(6-propan-2-ylimidazo[1,5-a]pyridin-5-yl)methanol
SMILESCC(C)c1ccc2cncn2c1[C@@H](O)C1CCC(c2cccc(Cl)c2)CC1
InChIInChI=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
InChIKeyPWXRENVSGAYPLX-OCJFHSIUSA-N
XLogP6.12
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.94
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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).