6-[[2-methyl-7-[2-methylsulfonyl-4-[(2R)-oxolan-2-yl]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-propan-2-ylpyridine-2-carbonitrile

C27H29N7O3S — CID 134456177

IUPAC6-[[2-methyl-7-[2-methylsulfonyl-4-[(2R)-oxolan-2-yl]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-propan-2-ylpyridine-2-carbonitrile
SMILESCc1nc2nc(Nc3ccc(C(C)C)c(C#N)n3)cc(Nc3ccc([C@H]4CCCO4)cc3S(C)(=O)=O)c2[nH]1
InChIInChI=1S/C27H29N7O3S/c1-15(2)18-8-10-24(32-21(18)14-28)33-25-13-20(26-27(34-25)30-16(3)29-26)31-19-9-7-17(22-6-5-11-37-22)12-23(19)38(4,35)36/h7-10,12-13,15,22H,5-6,11H2,1-4H3,(H3,29,30,31,32,33,34)/t22-/m1/s1
InChIKeyZXVQPSVIEUKKQR-JOCHJYFZSA-N
MW531.64 g/mol
LogP5.40
Rot. Bonds7

About 6-[[2-methyl-7-[2-methylsulfonyl-4-[(2R)-oxolan-2-yl]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-propan-2-ylpyridine-2-carbonitrile

6-[[2-methyl-7-[2-methylsulfonyl-4-[(2R)-oxolan-2-yl]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-propan-2-ylpyridine-2-carbonitrile (PubChem CID 134456177) has the molecular formula C27H29N7O3S and a molecular weight of 531.64 g/mol. Its IUPAC name is 6-[[2-methyl-7-[2-methylsulfonyl-4-[(2R)-oxolan-2-yl]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-propan-2-ylpyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[[2-methyl-7-[2-methylsulfonyl-4-[(2R)-oxolan-2-yl]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-propan-2-ylpyridine-2-carbonitrile
PubChem CID134456177
Molecular FormulaC27H29N7O3S
Molecular Weight531.64 g/mol
Exact Mass531.21
IUPAC Name6-[[2-methyl-7-[2-methylsulfonyl-4-[(2R)-oxolan-2-yl]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-propan-2-ylpyridine-2-carbonitrile
SMILESCc1nc2nc(Nc3ccc(C(C)C)c(C#N)n3)cc(Nc3ccc([C@H]4CCCO4)cc3S(C)(=O)=O)c2[nH]1
InChIInChI=1S/C27H29N7O3S/c1-15(2)18-8-10-24(32-21(18)14-28)33-25-13-20(26-27(34-25)30-16(3)29-26)31-19-9-7-17(22-6-5-11-37-22)12-23(19)38(4,35)36/h7-10,12-13,15,22H,5-6,11H2,1-4H3,(H3,29,30,31,32,33,34)/t22-/m1/s1
InChIKeyZXVQPSVIEUKKQR-JOCHJYFZSA-N
XLogP5.40
TPSA145.68 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.64
LogP ≤ 55.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 6-[[2-methyl-7-[2-methylsulfonyl-4-[(2R)-oxolan-2-yl]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-propan-2-ylpyridine-2-carbonitrile with MolForge

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Related Compounds

6-[[2-methyl-7-[2-methylsulfonyl-4-(oxolan-2-yl)anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]amino]-3-propan-2-ylpyridine-2-carbonitrile
CID 134456824
cyclopropyl-[[2-methyl-7-[2-methylsulfonyl-4-(oxan-2-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]methanol
CID 134455944
(1S)-N-[2-(difluoromethyl)-7-[2-methylsulfonyl-4-[(2R)-oxan-2-yl]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]-2,2-difluorocyclopropane-1-carboxamide
CID 134455345
7-N-(4-cyclopropyl-2-methylsulfonylphenyl)-2-methyl-5-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-2-yl)-1H-imidazo[4,5-b]pyridine-5,7-diamine
CID 134456075
N-[2-(difluoromethyl)-7-[4-(1,4-dioxan-2-yl)-2-methylsulfonylanilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
CID 134456300
N-[7-[4-(1-methoxyethyl)-2-methylsulfonylanilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
CID 134456014
6-[[2-methyl-7-[2-methylsulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile
CID 134455559
5-N-(2,6-dimethylpyrimidin-4-yl)-2-methyl-7-N-[2-methylsulfonyl-4-(oxan-2-yl)phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridine-5,7-diamine
CID 134456748
7-N-(4-cyclopropyl-2-methylsulfonylphenyl)-2-(difluoromethyl)-5-N-(5,6-dimethylpyrazin-2-yl)-1H-imidazo[4,5-b]pyridine-5,7-diamine
CID 134455959
2-(difluoromethyl)-5-N-(2,6-dimethylpyrimidin-4-yl)-7-N-[2-methylsulfonyl-4-[(2R)-oxan-2-yl]phenyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridine-5,7-diamine
CID 134456072
N-[7-[4-(3,5-dimethylfuran-2-yl)-2-methylsulfonylanilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
CID 134456677
5-N-(5-fluoro-2-pyridinyl)-2-methyl-7-N-(2-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine-5,7-diamine
CID 134474700

Frequently Asked Questions

What is the IUPAC name of 6-[[2-methyl-7-[2-methylsulfonyl-4-[(2R)-oxolan-2-yl]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-propan-2-ylpyridine-2-carbonitrile?
The IUPAC name of 6-[[2-methyl-7-[2-methylsulfonyl-4-[(2R)-oxolan-2-yl]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-propan-2-ylpyridine-2-carbonitrile (CID 134456177) is 6-[[2-methyl-7-[2-methylsulfonyl-4-[(2R)-oxolan-2-yl]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-propan-2-ylpyridine-2-carbonitrile.
What is the SMILES notation for 6-[[2-methyl-7-[2-methylsulfonyl-4-[(2R)-oxolan-2-yl]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-propan-2-ylpyridine-2-carbonitrile?
The canonical SMILES for 6-[[2-methyl-7-[2-methylsulfonyl-4-[(2R)-oxolan-2-yl]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-propan-2-ylpyridine-2-carbonitrile is Cc1nc2nc(Nc3ccc(C(C)C)c(C#N)n3)cc(Nc3ccc([C@H]4CCCO4)cc3S(C)(=O)=O)c2[nH]1.
What is the InChIKey of 6-[[2-methyl-7-[2-methylsulfonyl-4-[(2R)-oxolan-2-yl]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-propan-2-ylpyridine-2-carbonitrile?
The InChIKey is ZXVQPSVIEUKKQR-JOCHJYFZSA-N. The full InChI is InChI=1S/C27H29N7O3S/c1-15(2)18-8-10-24(32-21(18)14-28)33-25-13-20(26-27(34-25)30-16(3)29-26)31-19-9-7-17(22-6-5-11-37-22)12-23(19)38(4,35)36/h7-10,12-13,15,22H,5-6,11H2,1-4H3,(H3,29,30,31,32,33,34)/t22-/m1/s1.
What are the key properties of 6-[[2-methyl-7-[2-methylsulfonyl-4-[(2R)-oxolan-2-yl]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-propan-2-ylpyridine-2-carbonitrile?
6-[[2-methyl-7-[2-methylsulfonyl-4-[(2R)-oxolan-2-yl]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-propan-2-ylpyridine-2-carbonitrile has a molecular weight of 531.64 g/mol, XLogP of 5.40, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-methyl-7-[2-methylsulfonyl-4-[(2R)-oxolan-2-yl]anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-propan-2-ylpyridine-2-carbonitrile is sourced from PubChem (CID 134456177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).