6-[[7-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylanilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile

C25H23N9O2S — CID 134456076

IUPAC6-[[7-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylanilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile
SMILESCc1nc2nc(Nc3cccc(C#N)n3)cc(Nc3ccc(-c4cnn(C)c4C)cc3S(C)(=O)=O)c2[nH]1
InChIInChI=1S/C25H23N9O2S/c1-14-18(13-27-34(14)3)16-8-9-19(21(10-16)37(4,35)36)31-20-11-23(33-25-24(20)28-15(2)29-25)32-22-7-5-6-17(12-26)30-22/h5-11,13H,1-4H3,(H3,28,29,30,31,32,33)
InChIKeyTXTSXMFZHMWPKJ-UHFFFAOYSA-N
MW513.59 g/mol
LogP4.13
Rot. Bonds6

About 6-[[7-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylanilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile

6-[[7-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylanilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile (PubChem CID 134456076) has the molecular formula C25H23N9O2S and a molecular weight of 513.59 g/mol. Its IUPAC name is 6-[[7-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylanilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[[7-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylanilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile
PubChem CID134456076
Molecular FormulaC25H23N9O2S
Molecular Weight513.59 g/mol
Exact Mass513.17
IUPAC Name6-[[7-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylanilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile
SMILESCc1nc2nc(Nc3cccc(C#N)n3)cc(Nc3ccc(-c4cnn(C)c4C)cc3S(C)(=O)=O)c2[nH]1
InChIInChI=1S/C25H23N9O2S/c1-14-18(13-27-34(14)3)16-8-9-19(21(10-16)37(4,35)36)31-20-11-23(33-25-24(20)28-15(2)29-25)32-22-7-5-6-17(12-26)30-22/h5-11,13H,1-4H3,(H3,28,29,30,31,32,33)
InChIKeyTXTSXMFZHMWPKJ-UHFFFAOYSA-N
XLogP4.13
TPSA154.27 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.59
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 6-[[7-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylanilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile with MolForge

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Related Compounds

N,N-Dimethyl-4-[(6r)-6-Methyl-5-(1h-Pyrrolo[2,3-B]pyridin-4-Yl)-4,5,6,7-Tetrahydropyrazolo[1,5-A]pyrazin-3-Yl]benzenesulfonamide
CID 86306050
N,N-dimethyl-4-[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]benzenesulfonamide
CID 118720612
(6R)-6-methyl-3-(4-methylsulfonylphenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 118720613
N,N-dimethyl-1-[1-[2-(1-methyl-5-methylsulfonylindol-3-yl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methanamine
CID 162643444
1-(1H-benzimidazol-4-yl)-N-[(E)-(4-methylsulfonylphenyl)methylideneamino]pyrazolo[3,4-d]pyrimidin-4-amine
CID 10432939
1-[4-[1-ethyl-4-[2-[(2-methylsulfonylethylamino)methyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]phenyl]-3-phenylurea
CID 46237142
6-[5-(6-methyl-2-pyridinyl)-2-(phenylsulfanylmethyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine
CID 54766171
N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-2-methylsulfanylaniline
CID 54767088
N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-3-methylsulfanylaniline
CID 54767243
N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-4-methylsulfanylaniline
CID 54767245
N-[2-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]phenyl]methanesulfonamide
CID 54767419
4-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]benzonitrile
CID 54771538

Frequently Asked Questions

What is the IUPAC name of 6-[[7-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylanilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile?
The IUPAC name of 6-[[7-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylanilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile (CID 134456076) is 6-[[7-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylanilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[[7-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylanilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile?
The canonical SMILES for 6-[[7-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylanilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile is Cc1nc2nc(Nc3cccc(C#N)n3)cc(Nc3ccc(-c4cnn(C)c4C)cc3S(C)(=O)=O)c2[nH]1.
What is the InChIKey of 6-[[7-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylanilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile?
The InChIKey is TXTSXMFZHMWPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N9O2S/c1-14-18(13-27-34(14)3)16-8-9-19(21(10-16)37(4,35)36)31-20-11-23(33-25-24(20)28-15(2)29-25)32-22-7-5-6-17(12-26)30-22/h5-11,13H,1-4H3,(H3,28,29,30,31,32,33).
What are the key properties of 6-[[7-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylanilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile?
6-[[7-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylanilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile has a molecular weight of 513.59 g/mol, XLogP of 4.13, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[7-[4-(1,5-dimethylpyrazol-4-yl)-2-methylsulfonylanilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile is sourced from PubChem (CID 134456076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).