3-(3-hydroxyphenyl)-N-[(4-hydroxy-1-phenylcyclohexyl)methyl]imidazo[1,5-a]pyridine-1-carboxamide

C27H27N3O3 — CID 143722186

IUPAC3-(3-hydroxyphenyl)-N-[(4-hydroxy-1-phenylcyclohexyl)methyl]imidazo[1,5-a]pyridine-1-carboxamide
SMILESO=C(NCC1(c2ccccc2)CCC(O)CC1)c1nc(-c2cccc(O)c2)n2ccccc12
InChIInChI=1S/C27H27N3O3/c31-21-12-14-27(15-13-21,20-8-2-1-3-9-20)18-28-26(33)24-23-11-4-5-16-30(23)25(29-24)19-7-6-10-22(32)17-19/h1-11,16-17,21,31-32H,12-15,18H2,(H,28,33)
InChIKeyPFYYIIRTQFJSGJ-UHFFFAOYSA-N
MW441.53 g/mol
LogP4.31
Rot. Bonds5

About 3-(3-hydroxyphenyl)-N-[(4-hydroxy-1-phenylcyclohexyl)methyl]imidazo[1,5-a]pyridine-1-carboxamide

3-(3-hydroxyphenyl)-N-[(4-hydroxy-1-phenylcyclohexyl)methyl]imidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 143722186) has the molecular formula C27H27N3O3 and a molecular weight of 441.53 g/mol. Its IUPAC name is 3-(3-hydroxyphenyl)-N-[(4-hydroxy-1-phenylcyclohexyl)methyl]imidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound Name3-(3-hydroxyphenyl)-N-[(4-hydroxy-1-phenylcyclohexyl)methyl]imidazo[1,5-a]pyridine-1-carboxamide
PubChem CID143722186
Molecular FormulaC27H27N3O3
Molecular Weight441.53 g/mol
Exact Mass441.21
IUPAC Name3-(3-hydroxyphenyl)-N-[(4-hydroxy-1-phenylcyclohexyl)methyl]imidazo[1,5-a]pyridine-1-carboxamide
SMILESO=C(NCC1(c2ccccc2)CCC(O)CC1)c1nc(-c2cccc(O)c2)n2ccccc12
InChIInChI=1S/C27H27N3O3/c31-21-12-14-27(15-13-21,20-8-2-1-3-9-20)18-28-26(33)24-23-11-4-5-16-30(23)25(29-24)19-7-6-10-22(32)17-19/h1-11,16-17,21,31-32H,12-15,18H2,(H,28,33)
InChIKeyPFYYIIRTQFJSGJ-UHFFFAOYSA-N
XLogP4.31
TPSA86.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 54.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-phenylcyclopropyl)-3-pyridin-3-ylimidazo[1,5-a]pyridine-1-carboxamide
CID 70944014
3-(4-fluorophenyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 173128485
N-[[(1R,4S,5S)-4-hydroxy-5-(4-hydroxypiperidin-1-yl)-1-phenylcycloheptyl]methyl]-1-methylpyrrole-2-carboxamide
CID 129457742
N-[[(1R,4S,5S)-4-hydroxy-5-(4-hydroxypiperidin-1-yl)-1-phenylcycloheptyl]methyl]-4-methylbenzamide
CID 110147321
3-cyclopropyl-N-[[1-(hydroxymethyl)cyclobutyl]methyl]imidazo[1,5-a]pyridine-1-carboxamide
CID 57453264
3-(4-fluorophenyl)-N-[(2-methyloxolan-2-yl)methyl]imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 171925666
3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]imidazo[1,5-a]pyridine-1-carboxamide
CID 70943829
3-bromo-N-[[3-(hydroxymethyl)oxetan-3-yl]methyl]imidazo[1,5-a]pyridine-1-carboxamide
CID 154869565
N-(dicyclopropylmethyl)-3-(4-fluorophenyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 70943821
3-pyridin-3-yl-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 69004411
2-amino-N-[[(1R,4S,5S)-4-hydroxy-5-(4-hydroxypiperidin-1-yl)-1-phenylcycloheptyl]methyl]acetamide
CID 110160088
2,6-dichloro-N-[(1-phenylcyclopropyl)methyl]pyridine-4-carboxamide
CID 29293830

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxyphenyl)-N-[(4-hydroxy-1-phenylcyclohexyl)methyl]imidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of 3-(3-hydroxyphenyl)-N-[(4-hydroxy-1-phenylcyclohexyl)methyl]imidazo[1,5-a]pyridine-1-carboxamide (CID 143722186) is 3-(3-hydroxyphenyl)-N-[(4-hydroxy-1-phenylcyclohexyl)methyl]imidazo[1,5-a]pyridine-1-carboxamide.
What is the SMILES notation for 3-(3-hydroxyphenyl)-N-[(4-hydroxy-1-phenylcyclohexyl)methyl]imidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for 3-(3-hydroxyphenyl)-N-[(4-hydroxy-1-phenylcyclohexyl)methyl]imidazo[1,5-a]pyridine-1-carboxamide is O=C(NCC1(c2ccccc2)CCC(O)CC1)c1nc(-c2cccc(O)c2)n2ccccc12.
What is the InChIKey of 3-(3-hydroxyphenyl)-N-[(4-hydroxy-1-phenylcyclohexyl)methyl]imidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is PFYYIIRTQFJSGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O3/c31-21-12-14-27(15-13-21,20-8-2-1-3-9-20)18-28-26(33)24-23-11-4-5-16-30(23)25(29-24)19-7-6-10-22(32)17-19/h1-11,16-17,21,31-32H,12-15,18H2,(H,28,33).
What are the key properties of 3-(3-hydroxyphenyl)-N-[(4-hydroxy-1-phenylcyclohexyl)methyl]imidazo[1,5-a]pyridine-1-carboxamide?
3-(3-hydroxyphenyl)-N-[(4-hydroxy-1-phenylcyclohexyl)methyl]imidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 441.53 g/mol, XLogP of 4.31, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxyphenyl)-N-[(4-hydroxy-1-phenylcyclohexyl)methyl]imidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 143722186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).