3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1-(4-phenylphenyl)imidazo[4,5-b]pyridin-2-one

C28H28N6O — CID 151411777

IUPAC3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1-(4-phenylphenyl)imidazo[4,5-b]pyridin-2-one
SMILESCn1ccnc1CN1CCC(n2c(=O)n(-c3ccc(-c4ccccc4)cc3)c3cccnc32)CC1
InChIInChI=1S/C28H28N6O/c1-31-19-16-29-26(31)20-32-17-13-24(14-18-32)34-27-25(8-5-15-30-27)33(28(34)35)23-11-9-22(10-12-23)21-6-3-2-4-7-21/h2-12,15-16,19,24H,13-14,17-18,20H2,1H3
InChIKeyOYRDJLIWNGTILQ-UHFFFAOYSA-N
MW464.57 g/mol
LogP4.42
Rot. Bonds5

About 3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1-(4-phenylphenyl)imidazo[4,5-b]pyridin-2-one

3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1-(4-phenylphenyl)imidazo[4,5-b]pyridin-2-one (PubChem CID 151411777) has the molecular formula C28H28N6O and a molecular weight of 464.57 g/mol. Its IUPAC name is 3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1-(4-phenylphenyl)imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1-(4-phenylphenyl)imidazo[4,5-b]pyridin-2-one
PubChem CID151411777
Molecular FormulaC28H28N6O
Molecular Weight464.57 g/mol
Exact Mass464.23
IUPAC Name3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1-(4-phenylphenyl)imidazo[4,5-b]pyridin-2-one
SMILESCn1ccnc1CN1CCC(n2c(=O)n(-c3ccc(-c4ccccc4)cc3)c3cccnc32)CC1
InChIInChI=1S/C28H28N6O/c1-31-19-16-29-26(31)20-32-17-13-24(14-18-32)34-27-25(8-5-15-30-27)33(28(34)35)23-11-9-22(10-12-23)21-6-3-2-4-7-21/h2-12,15-16,19,24H,13-14,17-18,20H2,1H3
InChIKeyOYRDJLIWNGTILQ-UHFFFAOYSA-N
XLogP4.42
TPSA60.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-methyl-2-[[(3S)-3-[3-(4-phenylphenyl)-2H-imidazol-1-yl]pyrrolidin-1-yl]methyl]imidazole
CID 175499601
2-[[(3S)-3-[1-[4-[4-(1-hydroxyethenyl)phenyl]phenyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methyl]pyridine-4-carboxylic acid
CID 158462438
8-[(1-methylimidazol-2-yl)methyl]-3-(4-phenylphenyl)-1-pyrimidin-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 155565735
5-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-3-phenyl-1,2,4-oxadiazole
CID 56896959
1-methyl-2-[[(3S)-3-[3-(2-methyl-4-phenylphenyl)-2H-imidazol-1-yl]pyrrolidin-1-yl]methyl]imidazole
CID 175499537
3-[(3R)-3-[1-(6-chloro-3-pyridinyl)-2-oxoimidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-2,2-dimethylpropanoic acid
CID 146451063
3-methyl-2-[[(3S)-3-[5-(oxan-4-ylcarbamoyl)-2-oxo-1-(4-phenylphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methyl]imidazole-4-carboxylic acid
CID 150963547
1-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxylic acid
CID 42961844
methyl 2-[[(3S)-3-[1-[3-hydroxy-4-(4-methoxycarbonylphenyl)phenyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methyl]pyridine-4-carboxylate
CID 146451077
N-methyl-1-[(1-methylimidazol-2-yl)methyl]piperidin-4-amine
CID 63295696
5-methyl-3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1,3-oxazolidin-2-one
CID 4989848
1-methyl-8-[(1-methylimidazol-2-yl)methyl]-4-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 131654285

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1-(4-phenylphenyl)imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1-(4-phenylphenyl)imidazo[4,5-b]pyridin-2-one (CID 151411777) is 3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1-(4-phenylphenyl)imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1-(4-phenylphenyl)imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1-(4-phenylphenyl)imidazo[4,5-b]pyridin-2-one is Cn1ccnc1CN1CCC(n2c(=O)n(-c3ccc(-c4ccccc4)cc3)c3cccnc32)CC1.
What is the InChIKey of 3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1-(4-phenylphenyl)imidazo[4,5-b]pyridin-2-one?
The InChIKey is OYRDJLIWNGTILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N6O/c1-31-19-16-29-26(31)20-32-17-13-24(14-18-32)34-27-25(8-5-15-30-27)33(28(34)35)23-11-9-22(10-12-23)21-6-3-2-4-7-21/h2-12,15-16,19,24H,13-14,17-18,20H2,1H3.
What are the key properties of 3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1-(4-phenylphenyl)imidazo[4,5-b]pyridin-2-one?
3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1-(4-phenylphenyl)imidazo[4,5-b]pyridin-2-one has a molecular weight of 464.57 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1-(4-phenylphenyl)imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 151411777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).