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

C20H14F3N7O2S — CID 134455367

IUPAC6-[[2-(difluoromethyl)-7-(4-fluoro-2-methylsulfonylanilino)-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile
SMILESCS(=O)(=O)c1cc(F)ccc1Nc1cc(Nc2cccc(C#N)n2)nc2nc(C(F)F)[nH]c12
InChIInChI=1S/C20H14F3N7O2S/c1-33(31,32)14-7-10(21)5-6-12(14)26-13-8-16(27-15-4-2-3-11(9-24)25-15)28-19-17(13)29-20(30-19)18(22)23/h2-8,18H,1H3,(H3,25,26,27,28,29,30)
InChIKeyGZVZFCVCPQKONZ-UHFFFAOYSA-N
MW473.44 g/mol
LogP4.19
Rot. Bonds6

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

6-[[2-(difluoromethyl)-7-(4-fluoro-2-methylsulfonylanilino)-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile (PubChem CID 134455367) has the molecular formula C20H14F3N7O2S and a molecular weight of 473.44 g/mol. Its IUPAC name is 6-[[2-(difluoromethyl)-7-(4-fluoro-2-methylsulfonylanilino)-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[[2-(difluoromethyl)-7-(4-fluoro-2-methylsulfonylanilino)-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile
PubChem CID134455367
Molecular FormulaC20H14F3N7O2S
Molecular Weight473.44 g/mol
Exact Mass473.09
IUPAC Name6-[[2-(difluoromethyl)-7-(4-fluoro-2-methylsulfonylanilino)-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile
SMILESCS(=O)(=O)c1cc(F)ccc1Nc1cc(Nc2cccc(C#N)n2)nc2nc(C(F)F)[nH]c12
InChIInChI=1S/C20H14F3N7O2S/c1-33(31,32)14-7-10(21)5-6-12(14)26-13-8-16(27-15-4-2-3-11(9-24)25-15)28-19-17(13)29-20(30-19)18(22)23/h2-8,18H,1H3,(H3,25,26,27,28,29,30)
InChIKeyGZVZFCVCPQKONZ-UHFFFAOYSA-N
XLogP4.19
TPSA136.45 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.44
LogP ≤ 54.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

4-amino-6-[[(1S)-1-[6-fluoro-1-(2-methylsulfonylphenyl)benzimidazol-2-yl]ethyl]amino]pyrimidine-5-carbonitrile
CID 58459230
2-(difluoromethyl)-5-N-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)-7-N-(2-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine-5,7-diamine
CID 134455326
6-[[7-(4-fluoro-2-methylsulfonylanilino)-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile
CID 134455365
6-[[2-(difluoromethyl)-7-[4-(1,5-dimethylpyrazol-3-yl)-2-methylsulfonylanilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-methylpyridine-2-carbonitrile
CID 134455411
7-N-(4-chloro-2-methylsulfonylphenyl)-2-(difluoromethyl)-5-N-(6-methylpyridazin-3-yl)-1H-imidazo[4,5-b]pyridine-5,7-diamine
CID 134455426
N-[7-(4-fluoro-2-methylsulfonylanilino)-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
CID 134455431
2-(difluoromethyl)-5-N-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)-7-N-(4-fluoro-2-methylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine-5,7-diamine
CID 134455454
N-methyl-N-[2-[[2-methyl-5-[[6-(trifluoromethyl)pyridin-2-yl]amino]-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]methanesulfonamide
CID 134455483
6-[[2-(difluoromethyl)-7-[4-(1,5-dimethylpyrazol-3-yl)-2-methylsulfonylanilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile
CID 134455523
5-N-(6-ethynyl-2-pyridinyl)-7-N-(4-fluoro-2-methylsulfonylphenyl)-2-methyl-1H-imidazo[4,5-b]pyridine-5,7-diamine
CID 134455546
2-(difluoromethyl)-7-N-(2-methylsulfonylphenyl)-5-N-[6-(trifluoromethyl)pyridin-2-yl]-1H-imidazo[4,5-b]pyridine-5,7-diamine
CID 134455608
N-[2-(difluoromethyl)-7-(4-fluoro-2-methylsulfonylanilino)-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
CID 134455610

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(difluoromethyl)-7-(4-fluoro-2-methylsulfonylanilino)-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile?
The IUPAC name of 6-[[2-(difluoromethyl)-7-(4-fluoro-2-methylsulfonylanilino)-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile (CID 134455367) is 6-[[2-(difluoromethyl)-7-(4-fluoro-2-methylsulfonylanilino)-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[[2-(difluoromethyl)-7-(4-fluoro-2-methylsulfonylanilino)-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile?
The canonical SMILES for 6-[[2-(difluoromethyl)-7-(4-fluoro-2-methylsulfonylanilino)-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile is CS(=O)(=O)c1cc(F)ccc1Nc1cc(Nc2cccc(C#N)n2)nc2nc(C(F)F)[nH]c12.
What is the InChIKey of 6-[[2-(difluoromethyl)-7-(4-fluoro-2-methylsulfonylanilino)-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile?
The InChIKey is GZVZFCVCPQKONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N7O2S/c1-33(31,32)14-7-10(21)5-6-12(14)26-13-8-16(27-15-4-2-3-11(9-24)25-15)28-19-17(13)29-20(30-19)18(22)23/h2-8,18H,1H3,(H3,25,26,27,28,29,30).
What are the key properties of 6-[[2-(difluoromethyl)-7-(4-fluoro-2-methylsulfonylanilino)-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile?
6-[[2-(difluoromethyl)-7-(4-fluoro-2-methylsulfonylanilino)-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile has a molecular weight of 473.44 g/mol, XLogP of 4.19, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(difluoromethyl)-7-(4-fluoro-2-methylsulfonylanilino)-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile is sourced from PubChem (CID 134455367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).