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

C20H14ClF2N7O2S — CID 134455723

IUPAC6-[[7-(4-chloro-2-methylsulfonylanilino)-2-(difluoromethyl)-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile
SMILESCS(=O)(=O)c1cc(Cl)ccc1Nc1cc(Nc2cccc(C#N)n2)nc2nc(C(F)F)[nH]c12
InChIInChI=1S/C20H14ClF2N7O2S/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)
InChIKeyOMLGTIVOCZECLC-UHFFFAOYSA-N
MW489.90 g/mol
LogP4.71
Rot. Bonds6

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

6-[[7-(4-chloro-2-methylsulfonylanilino)-2-(difluoromethyl)-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile (PubChem CID 134455723) has the molecular formula C20H14ClF2N7O2S and a molecular weight of 489.90 g/mol. Its IUPAC name is 6-[[7-(4-chloro-2-methylsulfonylanilino)-2-(difluoromethyl)-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[[7-(4-chloro-2-methylsulfonylanilino)-2-(difluoromethyl)-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile
PubChem CID134455723
Molecular FormulaC20H14ClF2N7O2S
Molecular Weight489.90 g/mol
Exact Mass489.06
IUPAC Name6-[[7-(4-chloro-2-methylsulfonylanilino)-2-(difluoromethyl)-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile
SMILESCS(=O)(=O)c1cc(Cl)ccc1Nc1cc(Nc2cccc(C#N)n2)nc2nc(C(F)F)[nH]c12
InChIInChI=1S/C20H14ClF2N7O2S/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)
InChIKeyOMLGTIVOCZECLC-UHFFFAOYSA-N
XLogP4.71
TPSA136.45 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.90
LogP ≤ 54.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[[7-(4-chloro-2-methylsulfonylanilino)-2-(difluoromethyl)-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile?
The IUPAC name of 6-[[7-(4-chloro-2-methylsulfonylanilino)-2-(difluoromethyl)-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile (CID 134455723) is 6-[[7-(4-chloro-2-methylsulfonylanilino)-2-(difluoromethyl)-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[[7-(4-chloro-2-methylsulfonylanilino)-2-(difluoromethyl)-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile?
The canonical SMILES for 6-[[7-(4-chloro-2-methylsulfonylanilino)-2-(difluoromethyl)-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile is CS(=O)(=O)c1cc(Cl)ccc1Nc1cc(Nc2cccc(C#N)n2)nc2nc(C(F)F)[nH]c12.
What is the InChIKey of 6-[[7-(4-chloro-2-methylsulfonylanilino)-2-(difluoromethyl)-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile?
The InChIKey is OMLGTIVOCZECLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClF2N7O2S/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-[[7-(4-chloro-2-methylsulfonylanilino)-2-(difluoromethyl)-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile?
6-[[7-(4-chloro-2-methylsulfonylanilino)-2-(difluoromethyl)-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile has a molecular weight of 489.90 g/mol, XLogP of 4.71, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[7-(4-chloro-2-methylsulfonylanilino)-2-(difluoromethyl)-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile is sourced from PubChem (CID 134455723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).