(S)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(4-phenylcyclohexyl)sulfanylmethanol

C23H26N2OS — CID 145166858

IUPAC(S)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(4-phenylcyclohexyl)sulfanylmethanol
SMILESO[C@@H](SC1CCC(c2ccccc2)CC1)c1c(C2CC2)ccn2cncc12
InChIInChI=1S/C23H26N2OS/c26-23(22-20(18-6-7-18)12-13-25-15-24-14-21(22)25)27-19-10-8-17(9-11-19)16-4-2-1-3-5-16/h1-5,12-15,17-19,23,26H,6-11H2/t17?,19?,23-/m0/s1
InChIKeyILDCSSGZZBTVRM-WFHLNLCJSA-N
MW378.54 g/mol
LogP5.66
Rot. Bonds5

About (S)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(4-phenylcyclohexyl)sulfanylmethanol

(S)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(4-phenylcyclohexyl)sulfanylmethanol (PubChem CID 145166858) has the molecular formula C23H26N2OS and a molecular weight of 378.54 g/mol. Its IUPAC name is (S)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(4-phenylcyclohexyl)sulfanylmethanol.

Molecular Properties

Compound Name(S)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(4-phenylcyclohexyl)sulfanylmethanol
PubChem CID145166858
Molecular FormulaC23H26N2OS
Molecular Weight378.54 g/mol
Exact Mass378.18
IUPAC Name(S)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(4-phenylcyclohexyl)sulfanylmethanol
SMILESO[C@@H](SC1CCC(c2ccccc2)CC1)c1c(C2CC2)ccn2cncc12
InChIInChI=1S/C23H26N2OS/c26-23(22-20(18-6-7-18)12-13-25-15-24-14-21(22)25)27-19-10-8-17(9-11-19)16-4-2-1-3-5-16/h1-5,12-15,17-19,23,26H,6-11H2/t17?,19?,23-/m0/s1
InChIKeyILDCSSGZZBTVRM-WFHLNLCJSA-N
XLogP5.66
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.54
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (S)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(4-phenylcyclohexyl)sulfanylmethanol?
The IUPAC name of (S)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(4-phenylcyclohexyl)sulfanylmethanol (CID 145166858) is (S)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(4-phenylcyclohexyl)sulfanylmethanol.
What is the SMILES notation for (S)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(4-phenylcyclohexyl)sulfanylmethanol?
The canonical SMILES for (S)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(4-phenylcyclohexyl)sulfanylmethanol is O[C@@H](SC1CCC(c2ccccc2)CC1)c1c(C2CC2)ccn2cncc12.
What is the InChIKey of (S)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(4-phenylcyclohexyl)sulfanylmethanol?
The InChIKey is ILDCSSGZZBTVRM-WFHLNLCJSA-N. The full InChI is InChI=1S/C23H26N2OS/c26-23(22-20(18-6-7-18)12-13-25-15-24-14-21(22)25)27-19-10-8-17(9-11-19)16-4-2-1-3-5-16/h1-5,12-15,17-19,23,26H,6-11H2/t17?,19?,23-/m0/s1.
What are the key properties of (S)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(4-phenylcyclohexyl)sulfanylmethanol?
(S)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(4-phenylcyclohexyl)sulfanylmethanol has a molecular weight of 378.54 g/mol, XLogP of 5.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)-(4-phenylcyclohexyl)sulfanylmethanol is sourced from PubChem (CID 145166858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).