(1R)-3-[2-(2-fluorophenyl)-6-(1H-1,2,4-triazol-5-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexan-1-ol

C20H19FN6O — CID 170179508

IUPAC(1R)-3-[2-(2-fluorophenyl)-6-(1H-1,2,4-triazol-5-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexan-1-ol
SMILESO[C@@H]1CCCC(n2c(-c3ccccc3F)nc3cnc(-c4ncn[nH]4)cc32)C1
InChIInChI=1S/C20H19FN6O/c21-15-7-2-1-6-14(15)20-25-17-10-22-16(19-23-11-24-26-19)9-18(17)27(20)12-4-3-5-13(28)8-12/h1-2,6-7,9-13,28H,3-5,8H2,(H,23,24,26)/t12?,13-/m1/s1
InChIKeyHYOAEDRTOCHXQM-ZGTCLIOFSA-N
MW378.41 g/mol
LogP3.50
Rot. Bonds3

About (1R)-3-[2-(2-fluorophenyl)-6-(1H-1,2,4-triazol-5-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexan-1-ol

(1R)-3-[2-(2-fluorophenyl)-6-(1H-1,2,4-triazol-5-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexan-1-ol (PubChem CID 170179508) has the molecular formula C20H19FN6O and a molecular weight of 378.41 g/mol. Its IUPAC name is (1R)-3-[2-(2-fluorophenyl)-6-(1H-1,2,4-triazol-5-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name(1R)-3-[2-(2-fluorophenyl)-6-(1H-1,2,4-triazol-5-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexan-1-ol
PubChem CID170179508
Molecular FormulaC20H19FN6O
Molecular Weight378.41 g/mol
Exact Mass378.16
IUPAC Name(1R)-3-[2-(2-fluorophenyl)-6-(1H-1,2,4-triazol-5-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexan-1-ol
SMILESO[C@@H]1CCCC(n2c(-c3ccccc3F)nc3cnc(-c4ncn[nH]4)cc32)C1
InChIInChI=1S/C20H19FN6O/c21-15-7-2-1-6-14(15)20-25-17-10-22-16(19-23-11-24-26-19)9-18(17)27(20)12-4-3-5-13(28)8-12/h1-2,6-7,9-13,28H,3-5,8H2,(H,23,24,26)/t12?,13-/m1/s1
InChIKeyHYOAEDRTOCHXQM-ZGTCLIOFSA-N
XLogP3.50
TPSA92.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1R)-3-[2-(2-fluorophenyl)-6-(1H-1,2,4-triazol-5-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexan-1-ol?
The IUPAC name of (1R)-3-[2-(2-fluorophenyl)-6-(1H-1,2,4-triazol-5-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexan-1-ol (CID 170179508) is (1R)-3-[2-(2-fluorophenyl)-6-(1H-1,2,4-triazol-5-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexan-1-ol.
What is the SMILES notation for (1R)-3-[2-(2-fluorophenyl)-6-(1H-1,2,4-triazol-5-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexan-1-ol?
The canonical SMILES for (1R)-3-[2-(2-fluorophenyl)-6-(1H-1,2,4-triazol-5-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexan-1-ol is O[C@@H]1CCCC(n2c(-c3ccccc3F)nc3cnc(-c4ncn[nH]4)cc32)C1.
What is the InChIKey of (1R)-3-[2-(2-fluorophenyl)-6-(1H-1,2,4-triazol-5-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexan-1-ol?
The InChIKey is HYOAEDRTOCHXQM-ZGTCLIOFSA-N. The full InChI is InChI=1S/C20H19FN6O/c21-15-7-2-1-6-14(15)20-25-17-10-22-16(19-23-11-24-26-19)9-18(17)27(20)12-4-3-5-13(28)8-12/h1-2,6-7,9-13,28H,3-5,8H2,(H,23,24,26)/t12?,13-/m1/s1.
What are the key properties of (1R)-3-[2-(2-fluorophenyl)-6-(1H-1,2,4-triazol-5-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexan-1-ol?
(1R)-3-[2-(2-fluorophenyl)-6-(1H-1,2,4-triazol-5-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexan-1-ol has a molecular weight of 378.41 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3-[2-(2-fluorophenyl)-6-(1H-1,2,4-triazol-5-yl)imidazo[4,5-c]pyridin-1-yl]cyclohexan-1-ol is sourced from PubChem (CID 170179508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).