4-[1-[3-(1H-imidazo[4,5-b]pyridin-2-ylamino)-4-methylbenzoyl]piperidin-4-yl]benzonitrile

C26H24N6O — CID 70872451

IUPAC4-[1-[3-(1H-imidazo[4,5-b]pyridin-2-ylamino)-4-methylbenzoyl]piperidin-4-yl]benzonitrile
SMILESCc1ccc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1Nc1nc2ncccc2[nH]1
InChIInChI=1S/C26H24N6O/c1-17-4-7-21(15-23(17)30-26-29-22-3-2-12-28-24(22)31-26)25(33)32-13-10-20(11-14-32)19-8-5-18(16-27)6-9-19/h2-9,12,15,20H,10-11,13-14H2,1H3,(H2,28,29,30,31)
InChIKeyWENXGOROXFPNSB-UHFFFAOYSA-N
MW436.52 g/mol
LogP4.90
Rot. Bonds4

About 4-[1-[3-(1H-imidazo[4,5-b]pyridin-2-ylamino)-4-methylbenzoyl]piperidin-4-yl]benzonitrile

4-[1-[3-(1H-imidazo[4,5-b]pyridin-2-ylamino)-4-methylbenzoyl]piperidin-4-yl]benzonitrile (PubChem CID 70872451) has the molecular formula C26H24N6O and a molecular weight of 436.52 g/mol. Its IUPAC name is 4-[1-[3-(1H-imidazo[4,5-b]pyridin-2-ylamino)-4-methylbenzoyl]piperidin-4-yl]benzonitrile.

Molecular Properties

Compound Name4-[1-[3-(1H-imidazo[4,5-b]pyridin-2-ylamino)-4-methylbenzoyl]piperidin-4-yl]benzonitrile
PubChem CID70872451
Molecular FormulaC26H24N6O
Molecular Weight436.52 g/mol
Exact Mass436.20
IUPAC Name4-[1-[3-(1H-imidazo[4,5-b]pyridin-2-ylamino)-4-methylbenzoyl]piperidin-4-yl]benzonitrile
SMILESCc1ccc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1Nc1nc2ncccc2[nH]1
InChIInChI=1S/C26H24N6O/c1-17-4-7-21(15-23(17)30-26-29-22-3-2-12-28-24(22)31-26)25(33)32-13-10-20(11-14-32)19-8-5-18(16-27)6-9-19/h2-9,12,15,20H,10-11,13-14H2,1H3,(H2,28,29,30,31)
InChIKeyWENXGOROXFPNSB-UHFFFAOYSA-N
XLogP4.90
TPSA97.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[1-[3-(1H-imidazo[4,5-b]pyridin-2-ylamino)-4-methylbenzoyl]piperidin-4-yl]benzonitrile with MolForge

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Related Compounds

N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]cyclopentanecarboxamide
CID 25107001
N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]pyrimidine-4-carboxamide
CID 25107444
1-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-prop-2-ynylurea
CID 25133081
N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-4-methoxycyclohexane-1-carboxamide
CID 25107185
N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]benzenesulfonamide
CID 25153989
N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-1-methylimidazole-4-sulfonamide
CID 25153577
N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-2-(2-hydroxyethylamino)pyridine-4-carboxamide
CID 69168018
N-butan-2-yl-6-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylanilino]pyridine-3-carboxamide
CID 126514803
5-N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-2,5-dicarboxamide
CID 69165329
N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-6-piperazin-1-ylpyridine-3-carboxamide
CID 69188440
2-[[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]carbamoylamino]acetic acid
CID 68950872
N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-6-(3-oxopiperazin-1-yl)pyridine-3-carboxamide
CID 69166817

Frequently Asked Questions

What is the IUPAC name of 4-[1-[3-(1H-imidazo[4,5-b]pyridin-2-ylamino)-4-methylbenzoyl]piperidin-4-yl]benzonitrile?
The IUPAC name of 4-[1-[3-(1H-imidazo[4,5-b]pyridin-2-ylamino)-4-methylbenzoyl]piperidin-4-yl]benzonitrile (CID 70872451) is 4-[1-[3-(1H-imidazo[4,5-b]pyridin-2-ylamino)-4-methylbenzoyl]piperidin-4-yl]benzonitrile.
What is the SMILES notation for 4-[1-[3-(1H-imidazo[4,5-b]pyridin-2-ylamino)-4-methylbenzoyl]piperidin-4-yl]benzonitrile?
The canonical SMILES for 4-[1-[3-(1H-imidazo[4,5-b]pyridin-2-ylamino)-4-methylbenzoyl]piperidin-4-yl]benzonitrile is Cc1ccc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1Nc1nc2ncccc2[nH]1.
What is the InChIKey of 4-[1-[3-(1H-imidazo[4,5-b]pyridin-2-ylamino)-4-methylbenzoyl]piperidin-4-yl]benzonitrile?
The InChIKey is WENXGOROXFPNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O/c1-17-4-7-21(15-23(17)30-26-29-22-3-2-12-28-24(22)31-26)25(33)32-13-10-20(11-14-32)19-8-5-18(16-27)6-9-19/h2-9,12,15,20H,10-11,13-14H2,1H3,(H2,28,29,30,31).
What are the key properties of 4-[1-[3-(1H-imidazo[4,5-b]pyridin-2-ylamino)-4-methylbenzoyl]piperidin-4-yl]benzonitrile?
4-[1-[3-(1H-imidazo[4,5-b]pyridin-2-ylamino)-4-methylbenzoyl]piperidin-4-yl]benzonitrile has a molecular weight of 436.52 g/mol, XLogP of 4.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[3-(1H-imidazo[4,5-b]pyridin-2-ylamino)-4-methylbenzoyl]piperidin-4-yl]benzonitrile is sourced from PubChem (CID 70872451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).