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

C20H15F2N7O2S — CID 134455622

IUPAC6-[[2-(difluoromethyl)-7-(2-methylsulfonylanilino)-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile
SMILESCS(=O)(=O)c1ccccc1Nc1cc(Nc2cccc(C#N)n2)nc2nc(C(F)F)[nH]c12
InChIInChI=1S/C20H15F2N7O2S/c1-32(30,31)14-7-3-2-6-12(14)25-13-9-16(26-15-8-4-5-11(10-23)24-15)27-19-17(13)28-20(29-19)18(21)22/h2-9,18H,1H3,(H3,24,25,26,27,28,29)
InChIKeyLYIDTTOFIKNSQR-UHFFFAOYSA-N
MW455.45 g/mol
LogP4.05
Rot. Bonds6

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

6-[[2-(difluoromethyl)-7-(2-methylsulfonylanilino)-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile (PubChem CID 134455622) has the molecular formula C20H15F2N7O2S and a molecular weight of 455.45 g/mol. Its IUPAC name is 6-[[2-(difluoromethyl)-7-(2-methylsulfonylanilino)-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[[2-(difluoromethyl)-7-(2-methylsulfonylanilino)-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile
PubChem CID134455622
Molecular FormulaC20H15F2N7O2S
Molecular Weight455.45 g/mol
Exact Mass455.10
IUPAC Name6-[[2-(difluoromethyl)-7-(2-methylsulfonylanilino)-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile
SMILESCS(=O)(=O)c1ccccc1Nc1cc(Nc2cccc(C#N)n2)nc2nc(C(F)F)[nH]c12
InChIInChI=1S/C20H15F2N7O2S/c1-32(30,31)14-7-3-2-6-12(14)25-13-9-16(26-15-8-4-5-11(10-23)24-15)27-19-17(13)28-20(29-19)18(21)22/h2-9,18H,1H3,(H3,24,25,26,27,28,29)
InChIKeyLYIDTTOFIKNSQR-UHFFFAOYSA-N
XLogP4.05
TPSA136.45 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.45
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-(difluoromethyl)-7-(2-methylsulfonylanilino)-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile?
The IUPAC name of 6-[[2-(difluoromethyl)-7-(2-methylsulfonylanilino)-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile (CID 134455622) is 6-[[2-(difluoromethyl)-7-(2-methylsulfonylanilino)-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[[2-(difluoromethyl)-7-(2-methylsulfonylanilino)-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile?
The canonical SMILES for 6-[[2-(difluoromethyl)-7-(2-methylsulfonylanilino)-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile is CS(=O)(=O)c1ccccc1Nc1cc(Nc2cccc(C#N)n2)nc2nc(C(F)F)[nH]c12.
What is the InChIKey of 6-[[2-(difluoromethyl)-7-(2-methylsulfonylanilino)-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile?
The InChIKey is LYIDTTOFIKNSQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N7O2S/c1-32(30,31)14-7-3-2-6-12(14)25-13-9-16(26-15-8-4-5-11(10-23)24-15)27-19-17(13)28-20(29-19)18(21)22/h2-9,18H,1H3,(H3,24,25,26,27,28,29).
What are the key properties of 6-[[2-(difluoromethyl)-7-(2-methylsulfonylanilino)-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile?
6-[[2-(difluoromethyl)-7-(2-methylsulfonylanilino)-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile has a molecular weight of 455.45 g/mol, XLogP of 4.05, 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-(2-methylsulfonylanilino)-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile is sourced from PubChem (CID 134455622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).