(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-(4-quinolin-4-ylcyclohexyl)methanol

C26H27N3O — CID 134382111

IUPAC(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-(4-quinolin-4-ylcyclohexyl)methanol
SMILESOC(c1c(C2CC2)ccc2cncn12)C1CCC(c2ccnc3ccccc23)CC1
InChIInChI=1S/C26H27N3O/c30-26(25-22(18-5-6-18)12-11-20-15-27-16-29(20)25)19-9-7-17(8-10-19)21-13-14-28-24-4-2-1-3-23(21)24/h1-4,11-19,26,30H,5-10H2
InChIKeyWPTRXJGNQXWBGR-UHFFFAOYSA-N
MW397.52 g/mol
LogP5.77
Rot. Bonds4

About (6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-(4-quinolin-4-ylcyclohexyl)methanol

(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-(4-quinolin-4-ylcyclohexyl)methanol (PubChem CID 134382111) has the molecular formula C26H27N3O and a molecular weight of 397.52 g/mol. Its IUPAC name is (6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-(4-quinolin-4-ylcyclohexyl)methanol.

Molecular Properties

Compound Name(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-(4-quinolin-4-ylcyclohexyl)methanol
PubChem CID134382111
Molecular FormulaC26H27N3O
Molecular Weight397.52 g/mol
Exact Mass397.22
IUPAC Name(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-(4-quinolin-4-ylcyclohexyl)methanol
SMILESOC(c1c(C2CC2)ccc2cncn12)C1CCC(c2ccnc3ccccc23)CC1
InChIInChI=1S/C26H27N3O/c30-26(25-22(18-5-6-18)12-11-20-15-27-16-29(20)25)19-9-7-17(8-10-19)21-13-14-28-24-4-2-1-3-23(21)24/h1-4,11-19,26,30H,5-10H2
InChIKeyWPTRXJGNQXWBGR-UHFFFAOYSA-N
XLogP5.77
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.52
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-(4-quinolin-4-ylcyclohexyl)methanol?
The IUPAC name of (6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-(4-quinolin-4-ylcyclohexyl)methanol (CID 134382111) is (6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-(4-quinolin-4-ylcyclohexyl)methanol.
What is the SMILES notation for (6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-(4-quinolin-4-ylcyclohexyl)methanol?
The canonical SMILES for (6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-(4-quinolin-4-ylcyclohexyl)methanol is OC(c1c(C2CC2)ccc2cncn12)C1CCC(c2ccnc3ccccc23)CC1.
What is the InChIKey of (6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-(4-quinolin-4-ylcyclohexyl)methanol?
The InChIKey is WPTRXJGNQXWBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O/c30-26(25-22(18-5-6-18)12-11-20-15-27-16-29(20)25)19-9-7-17(8-10-19)21-13-14-28-24-4-2-1-3-23(21)24/h1-4,11-19,26,30H,5-10H2.
What are the key properties of (6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-(4-quinolin-4-ylcyclohexyl)methanol?
(6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-(4-quinolin-4-ylcyclohexyl)methanol has a molecular weight of 397.52 g/mol, XLogP of 5.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-cyclopropylimidazo[1,5-a]pyridin-5-yl)-(4-quinolin-4-ylcyclohexyl)methanol is sourced from PubChem (CID 134382111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).