3-cyano-N-[3-(3-methoxyphenyl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide

C27H24N6O3 — CID 52949423

IUPAC3-cyano-N-[3-(3-methoxyphenyl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide
SMILESCOc1cccc(-n2c(NC(=O)c3cccc(C#N)c3)nc3cc(C(=O)N4CCCCC4)cnc32)c1
InChIInChI=1S/C27H24N6O3/c1-36-22-10-6-9-21(15-22)33-24-23(14-20(17-29-24)26(35)32-11-3-2-4-12-32)30-27(33)31-25(34)19-8-5-7-18(13-19)16-28/h5-10,13-15,17H,2-4,11-12H2,1H3,(H,30,31,34)
InChIKeyIKYDCWPNZBDRTP-UHFFFAOYSA-N
MW480.53 g/mol
LogP4.18
Rot. Bonds5

About 3-cyano-N-[3-(3-methoxyphenyl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide

3-cyano-N-[3-(3-methoxyphenyl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide (PubChem CID 52949423) has the molecular formula C27H24N6O3 and a molecular weight of 480.53 g/mol. Its IUPAC name is 3-cyano-N-[3-(3-methoxyphenyl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[3-(3-methoxyphenyl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide
PubChem CID52949423
Molecular FormulaC27H24N6O3
Molecular Weight480.53 g/mol
Exact Mass480.19
IUPAC Name3-cyano-N-[3-(3-methoxyphenyl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide
SMILESCOc1cccc(-n2c(NC(=O)c3cccc(C#N)c3)nc3cc(C(=O)N4CCCCC4)cnc32)c1
InChIInChI=1S/C27H24N6O3/c1-36-22-10-6-9-21(15-22)33-24-23(14-20(17-29-24)26(35)32-11-3-2-4-12-32)30-27(33)31-25(34)19-8-5-7-18(13-19)16-28/h5-10,13-15,17H,2-4,11-12H2,1H3,(H,30,31,34)
InChIKeyIKYDCWPNZBDRTP-UHFFFAOYSA-N
XLogP4.18
TPSA113.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.53
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,6-diethylphenyl)-2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]-5,6-dihydropyrimido[4,5-e]indolizine-7-carboxamide
CID 122632882
3-{8-[(3,4-Dimethoxyphenyl)amino]imidazo[1,2-A]pyrazin-6-Yl}benzamide
CID 69000930
4-(6-azanyl-2-pyridin-4-yl-purin-9-yl)-~{N}-(3-methoxyphenyl)cyclohexane-1-carboxamide
CID 134214787
N-(2,6-difluorophenyl)-3-(3-(2-(3-(2-(dimethylamino)ethoxy)phenylamino)pyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl)benzamide
CID 44571810
3-{3-Benzyl-3H-imidazo[4,5-B]pyridin-2-YL}-N-[(4-methoxyphenyl)methyl]propanamide
CID 16009052
(S)-N-(2,6-difluorophenyl)-3-(3-(2-(3-(3-(dimethylamino)-2-hydroxypropoxy)phenylamino)pyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl)benzamide
CID 44571812
2-methyl-6-(1-methylbenzimidazol-5-yl)oxy-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]pyrido[3,4-d]pyrimidin-4-one
CID 57401800
7-(4-methoxyphenyl)-2-[4-(piperidin-1-ylcarbonyl)phenyl]-3H-imidazo[4,5-b]pyridine
CID 16122967
N-(4-carbamoylphenyl)-3-[8-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]benzamide
CID 44187112
Methyl 4-[[3-[8-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]benzoyl]amino]benzoate
CID 44187114
4-[8-(3,4-Dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]-2-methylbenzamide
CID 44188018
5-[8-(3,4-Dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]-2-methylbenzamide
CID 44188200

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[3-(3-methoxyphenyl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide?
The IUPAC name of 3-cyano-N-[3-(3-methoxyphenyl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide (CID 52949423) is 3-cyano-N-[3-(3-methoxyphenyl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide.
What is the SMILES notation for 3-cyano-N-[3-(3-methoxyphenyl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide?
The canonical SMILES for 3-cyano-N-[3-(3-methoxyphenyl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide is COc1cccc(-n2c(NC(=O)c3cccc(C#N)c3)nc3cc(C(=O)N4CCCCC4)cnc32)c1.
What is the InChIKey of 3-cyano-N-[3-(3-methoxyphenyl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide?
The InChIKey is IKYDCWPNZBDRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N6O3/c1-36-22-10-6-9-21(15-22)33-24-23(14-20(17-29-24)26(35)32-11-3-2-4-12-32)30-27(33)31-25(34)19-8-5-7-18(13-19)16-28/h5-10,13-15,17H,2-4,11-12H2,1H3,(H,30,31,34).
What are the key properties of 3-cyano-N-[3-(3-methoxyphenyl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide?
3-cyano-N-[3-(3-methoxyphenyl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide has a molecular weight of 480.53 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[3-(3-methoxyphenyl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide is sourced from PubChem (CID 52949423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).