1-cyclopropyl-2-[7-(2-methoxyanilino)-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone

C24H28N4O3 — CID 158926805

IUPAC1-cyclopropyl-2-[7-(2-methoxyanilino)-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone
SMILESCOc1ccccc1Nc1cc(CC(=O)C2CC2)nc2c1nc(C)n2C1CCCCO1
InChIInChI=1S/C24H28N4O3/c1-15-25-23-19(27-18-7-3-4-8-21(18)30-2)13-17(14-20(29)16-10-11-16)26-24(23)28(15)22-9-5-6-12-31-22/h3-4,7-8,13,16,22H,5-6,9-12,14H2,1-2H3,(H,26,27)
InChIKeyZPVGNLLMQWDAER-UHFFFAOYSA-N
MW420.51 g/mol
LogP4.71
Rot. Bonds7

About 1-cyclopropyl-2-[7-(2-methoxyanilino)-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone

1-cyclopropyl-2-[7-(2-methoxyanilino)-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone (PubChem CID 158926805) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is 1-cyclopropyl-2-[7-(2-methoxyanilino)-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name1-cyclopropyl-2-[7-(2-methoxyanilino)-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone
PubChem CID158926805
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name1-cyclopropyl-2-[7-(2-methoxyanilino)-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone
SMILESCOc1ccccc1Nc1cc(CC(=O)C2CC2)nc2c1nc(C)n2C1CCCCO1
InChIInChI=1S/C24H28N4O3/c1-15-25-23-19(27-18-7-3-4-8-21(18)30-2)13-17(14-20(29)16-10-11-16)26-24(23)28(15)22-9-5-6-12-31-22/h3-4,7-8,13,16,22H,5-6,9-12,14H2,1-2H3,(H,26,27)
InChIKeyZPVGNLLMQWDAER-UHFFFAOYSA-N
XLogP4.71
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-cyclopropyl-2-[2-methyl-7-(2-methylsulfinylanilino)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone
CID 158276775
1-cyclopropyl-2-[7-[2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone
CID 159985939
1-cyclopropyl-2-[7-[2-methoxy-3-(3-methyl-1,2,4-triazol-1-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone
CID 162072888
1-[(1S,2S)-2-fluorocyclopropyl]-2-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone
CID 157365924
1-cyclopropyl-2-[7-[4-(5,5-dimethyloxan-2-yl)-2-methylsulfonylanilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone
CID 159011164
1-cyclopropyl-2-[7-[4-[1-(3-methoxypropyl)pyrazol-3-yl]-2-methylsulfonylanilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone
CID 158502417
N-[7-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methoxyanilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
CID 134456311
3-[[5-(cyclopropanecarbonylamino)-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-2-methoxybenzoic acid
CID 134456576
2-[7-(4-cyclobutyl-2-methylsulfonylanilino)-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]-1-[(1S,2S)-2-fluorocyclopropyl]ethanone
CID 158784912
5-chloro-2-(difluoromethyl)-N-(2-methoxyphenyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine
CID 134455640
1-cyclopropyl-2-[2-(difluoromethyl)-7-[2-methylsulfonyl-4-(oxan-2-yl)anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone
CID 161397968
N-[7-[3-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-methoxyanilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
CID 134455882

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[7-(2-methoxyanilino)-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone?
The IUPAC name of 1-cyclopropyl-2-[7-(2-methoxyanilino)-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone (CID 158926805) is 1-cyclopropyl-2-[7-(2-methoxyanilino)-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone.
What is the SMILES notation for 1-cyclopropyl-2-[7-(2-methoxyanilino)-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone?
The canonical SMILES for 1-cyclopropyl-2-[7-(2-methoxyanilino)-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone is COc1ccccc1Nc1cc(CC(=O)C2CC2)nc2c1nc(C)n2C1CCCCO1.
What is the InChIKey of 1-cyclopropyl-2-[7-(2-methoxyanilino)-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone?
The InChIKey is ZPVGNLLMQWDAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-15-25-23-19(27-18-7-3-4-8-21(18)30-2)13-17(14-20(29)16-10-11-16)26-24(23)28(15)22-9-5-6-12-31-22/h3-4,7-8,13,16,22H,5-6,9-12,14H2,1-2H3,(H,26,27).
What are the key properties of 1-cyclopropyl-2-[7-(2-methoxyanilino)-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone?
1-cyclopropyl-2-[7-(2-methoxyanilino)-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone has a molecular weight of 420.51 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[7-(2-methoxyanilino)-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]ethanone is sourced from PubChem (CID 158926805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).