1-[(2-chlorophenyl)methyl]-3-methyl-7-piperidin-1-ylimidazo[4,5-b]pyridin-2-one

C19H21ClN4O — CID 123817387

IUPAC1-[(2-chlorophenyl)methyl]-3-methyl-7-piperidin-1-ylimidazo[4,5-b]pyridin-2-one
SMILESCn1c(=O)n(Cc2ccccc2Cl)c2c(N3CCCCC3)ccnc21
InChIInChI=1S/C19H21ClN4O/c1-22-18-17(16(9-10-21-18)23-11-5-2-6-12-23)24(19(22)25)13-14-7-3-4-8-15(14)20/h3-4,7-10H,2,5-6,11-13H2,1H3
InChIKeyXNIRHHQNYKILDB-UHFFFAOYSA-N
MW356.86 g/mol
LogP3.43
Rot. Bonds3

About 1-[(2-chlorophenyl)methyl]-3-methyl-7-piperidin-1-ylimidazo[4,5-b]pyridin-2-one

1-[(2-chlorophenyl)methyl]-3-methyl-7-piperidin-1-ylimidazo[4,5-b]pyridin-2-one (PubChem CID 123817387) has the molecular formula C19H21ClN4O and a molecular weight of 356.86 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-3-methyl-7-piperidin-1-ylimidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-3-methyl-7-piperidin-1-ylimidazo[4,5-b]pyridin-2-one
PubChem CID123817387
Molecular FormulaC19H21ClN4O
Molecular Weight356.86 g/mol
Exact Mass356.14
IUPAC Name1-[(2-chlorophenyl)methyl]-3-methyl-7-piperidin-1-ylimidazo[4,5-b]pyridin-2-one
SMILESCn1c(=O)n(Cc2ccccc2Cl)c2c(N3CCCCC3)ccnc21
InChIInChI=1S/C19H21ClN4O/c1-22-18-17(16(9-10-21-18)23-11-5-2-6-12-23)24(19(22)25)13-14-7-3-4-8-15(14)20/h3-4,7-10H,2,5-6,11-13H2,1H3
InChIKeyXNIRHHQNYKILDB-UHFFFAOYSA-N
XLogP3.43
TPSA43.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.86
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-methyl-2-oxo-7-piperidin-1-ylimidazo[4,5-b]pyridin-1-yl)methyl]benzonitrile
CID 123666107
7-(3-aminopiperidin-1-yl)-1-[(2-fluorophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-2-one
CID 70975727
1-[(2-chlorophenyl)methyl]-3,7-dimethyl-8-morpholin-4-ylpurine-2,6-dione
CID 1401959
1-[(2-chlorophenyl)methyl]-8-(cyclopentylamino)-3,7-dimethylpurine-2,6-dione
CID 4220798
7-[(2-chlorophenyl)methyl]-1,3-dimethyl-8-(4-methylpiperazin-1-yl)purine-2,6-dione
CID 983096
7-[(3R)-3-aminopiperidin-1-yl]-3-methyl-1-[(3-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-one
CID 71000813
2-[8-(3-aminopiperidin-1-yl)-7-[(2-chlorophenyl)methyl]-3-methyl-2,6-dioxopurin-1-yl]-N-pyridin-2-ylacetamide
CID 22508632
8-(3-aminopiperidin-1-yl)-7-but-2-ynyl-1-[(2-chlorophenyl)methyl]-3-methylpurine-2,6-dione
CID 11408068
3-[(2-chlorophenyl)methyl]-2-ethyl-7-piperazin-1-ylimidazo[4,5-b]pyridine
CID 126720448
8-[(3R)-3-aminopiperidin-1-yl]-7-[(2-chlorophenyl)methyl]-3-methyl-1-phenacylpurine-2,6-dione
CID 59990719
tert-butyl N-[1-[1-[(4-chloro-2-cyanophenyl)methyl]-3-methyl-2-oxoimidazo[4,5-b]pyridin-7-yl]piperidin-3-yl]carbamate
CID 70975416
2-[[7-[(3R)-3-aminopiperidin-1-yl]-5-chloro-3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl]methyl]benzonitrile
CID 53312325

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-3-methyl-7-piperidin-1-ylimidazo[4,5-b]pyridin-2-one?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-3-methyl-7-piperidin-1-ylimidazo[4,5-b]pyridin-2-one (CID 123817387) is 1-[(2-chlorophenyl)methyl]-3-methyl-7-piperidin-1-ylimidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-3-methyl-7-piperidin-1-ylimidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-3-methyl-7-piperidin-1-ylimidazo[4,5-b]pyridin-2-one is Cn1c(=O)n(Cc2ccccc2Cl)c2c(N3CCCCC3)ccnc21.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-3-methyl-7-piperidin-1-ylimidazo[4,5-b]pyridin-2-one?
The InChIKey is XNIRHHQNYKILDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O/c1-22-18-17(16(9-10-21-18)23-11-5-2-6-12-23)24(19(22)25)13-14-7-3-4-8-15(14)20/h3-4,7-10H,2,5-6,11-13H2,1H3.
What are the key properties of 1-[(2-chlorophenyl)methyl]-3-methyl-7-piperidin-1-ylimidazo[4,5-b]pyridin-2-one?
1-[(2-chlorophenyl)methyl]-3-methyl-7-piperidin-1-ylimidazo[4,5-b]pyridin-2-one has a molecular weight of 356.86 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-3-methyl-7-piperidin-1-ylimidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 123817387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).