2-[(3-methyl-2-oxo-7-piperidin-1-ylimidazo[4,5-b]pyridin-1-yl)methyl]benzonitrile

C20H21N5O — CID 123666107

IUPAC2-[(3-methyl-2-oxo-7-piperidin-1-ylimidazo[4,5-b]pyridin-1-yl)methyl]benzonitrile
SMILESCn1c(=O)n(Cc2ccccc2C#N)c2c(N3CCCCC3)ccnc21
InChIInChI=1S/C20H21N5O/c1-23-19-18(17(9-10-22-19)24-11-5-2-6-12-24)25(20(23)26)14-16-8-4-3-7-15(16)13-21/h3-4,7-10H,2,5-6,11-12,14H2,1H3
InChIKeyWMBQRJOXVGPTTB-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.65
Rot. Bonds3

About 2-[(3-methyl-2-oxo-7-piperidin-1-ylimidazo[4,5-b]pyridin-1-yl)methyl]benzonitrile

2-[(3-methyl-2-oxo-7-piperidin-1-ylimidazo[4,5-b]pyridin-1-yl)methyl]benzonitrile (PubChem CID 123666107) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is 2-[(3-methyl-2-oxo-7-piperidin-1-ylimidazo[4,5-b]pyridin-1-yl)methyl]benzonitrile.

Molecular Properties

Compound Name2-[(3-methyl-2-oxo-7-piperidin-1-ylimidazo[4,5-b]pyridin-1-yl)methyl]benzonitrile
PubChem CID123666107
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name2-[(3-methyl-2-oxo-7-piperidin-1-ylimidazo[4,5-b]pyridin-1-yl)methyl]benzonitrile
SMILESCn1c(=O)n(Cc2ccccc2C#N)c2c(N3CCCCC3)ccnc21
InChIInChI=1S/C20H21N5O/c1-23-19-18(17(9-10-22-19)24-11-5-2-6-12-24)25(20(23)26)14-16-8-4-3-7-15(16)13-21/h3-4,7-10H,2,5-6,11-12,14H2,1H3
InChIKeyWMBQRJOXVGPTTB-UHFFFAOYSA-N
XLogP2.65
TPSA66.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[(3-methyl-2-oxo-7-piperidin-1-ylimidazo[4,5-b]pyridin-1-yl)methyl]benzonitrile with MolForge

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Related Compounds

1-[(2-chlorophenyl)methyl]-3-methyl-7-piperidin-1-ylimidazo[4,5-b]pyridin-2-one
CID 123817387
2-[[7-[(3R)-3-aminopiperidin-1-yl]-5-chloro-3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl]methyl]benzonitrile
CID 53312325
7-(3-aminopiperidin-1-yl)-1-[(2-fluorophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-2-one
CID 70975727
2-[[7-(3-aminopiperidin-1-yl)-5-(dimethylamino)-3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl]methyl]benzonitrile
CID 70975546
2-[[7-[(3R)-3-aminopiperidin-1-yl]-5-methoxy-3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl]methyl]benzonitrile
CID 118712519
2-[[7-(3-aminopiperidin-1-yl)-3-methyl-2-oxo-5-(trifluoromethyl)imidazo[4,5-b]pyridin-1-yl]methyl]benzonitrile
CID 77473662
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
tert-butyl N-[1-[5-chloro-1-[(2-cyanophenyl)methyl]-3-methyl-2-oxoimidazo[4,5-b]pyridin-7-yl]piperidin-3-yl]carbamate
CID 89179023
2-[[5-chloro-3-methyl-7-[3-(2-methylpropyl)piperidin-1-yl]-2-oxoimidazo[4,5-b]pyridin-1-yl]methyl]benzonitrile
CID 123300131
2-[[7-[(3R)-3-(tert-butylamino)pyrrolidin-1-yl]-3,5-dimethyl-2-oxoimidazo[4,5-b]pyridin-1-yl]methyl]benzonitrile
CID 174750988
6-[[6-[(3S)-3-aminopiperidin-1-yl]-3-methyl-2,4-dioxopyrimidin-1-yl]methyl](1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbonitrile
CID 76974260
2-[(7-oxo-5-piperidin-1-ylpyrazolo[1,5-c]pyrimidin-6-yl)methyl]benzonitrile
CID 143251504

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-2-oxo-7-piperidin-1-ylimidazo[4,5-b]pyridin-1-yl)methyl]benzonitrile?
The IUPAC name of 2-[(3-methyl-2-oxo-7-piperidin-1-ylimidazo[4,5-b]pyridin-1-yl)methyl]benzonitrile (CID 123666107) is 2-[(3-methyl-2-oxo-7-piperidin-1-ylimidazo[4,5-b]pyridin-1-yl)methyl]benzonitrile.
What is the SMILES notation for 2-[(3-methyl-2-oxo-7-piperidin-1-ylimidazo[4,5-b]pyridin-1-yl)methyl]benzonitrile?
The canonical SMILES for 2-[(3-methyl-2-oxo-7-piperidin-1-ylimidazo[4,5-b]pyridin-1-yl)methyl]benzonitrile is Cn1c(=O)n(Cc2ccccc2C#N)c2c(N3CCCCC3)ccnc21.
What is the InChIKey of 2-[(3-methyl-2-oxo-7-piperidin-1-ylimidazo[4,5-b]pyridin-1-yl)methyl]benzonitrile?
The InChIKey is WMBQRJOXVGPTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-23-19-18(17(9-10-22-19)24-11-5-2-6-12-24)25(20(23)26)14-16-8-4-3-7-15(16)13-21/h3-4,7-10H,2,5-6,11-12,14H2,1H3.
What are the key properties of 2-[(3-methyl-2-oxo-7-piperidin-1-ylimidazo[4,5-b]pyridin-1-yl)methyl]benzonitrile?
2-[(3-methyl-2-oxo-7-piperidin-1-ylimidazo[4,5-b]pyridin-1-yl)methyl]benzonitrile has a molecular weight of 347.42 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-2-oxo-7-piperidin-1-ylimidazo[4,5-b]pyridin-1-yl)methyl]benzonitrile is sourced from PubChem (CID 123666107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).