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

C20H16FN7O2S — CID 134455365

IUPAC6-[[7-(4-fluoro-2-methylsulfonylanilino)-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile
SMILESCc1nc2nc(Nc3cccc(C#N)n3)cc(Nc3ccc(F)cc3S(C)(=O)=O)c2[nH]1
InChIInChI=1S/C20H16FN7O2S/c1-11-23-19-15(26-14-7-6-12(21)8-16(14)31(2,29)30)9-18(28-20(19)24-11)27-17-5-3-4-13(10-22)25-17/h3-9H,1-2H3,(H3,23,24,25,26,27,28)
InChIKeyVQVLELFJGYXUSG-UHFFFAOYSA-N
MW437.46 g/mol
LogP3.56
Rot. Bonds5

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

6-[[7-(4-fluoro-2-methylsulfonylanilino)-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile (PubChem CID 134455365) has the molecular formula C20H16FN7O2S and a molecular weight of 437.46 g/mol. Its IUPAC name is 6-[[7-(4-fluoro-2-methylsulfonylanilino)-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[[7-(4-fluoro-2-methylsulfonylanilino)-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile
PubChem CID134455365
Molecular FormulaC20H16FN7O2S
Molecular Weight437.46 g/mol
Exact Mass437.11
IUPAC Name6-[[7-(4-fluoro-2-methylsulfonylanilino)-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile
SMILESCc1nc2nc(Nc3cccc(C#N)n3)cc(Nc3ccc(F)cc3S(C)(=O)=O)c2[nH]1
InChIInChI=1S/C20H16FN7O2S/c1-11-23-19-15(26-14-7-6-12(21)8-16(14)31(2,29)30)9-18(28-20(19)24-11)27-17-5-3-4-13(10-22)25-17/h3-9H,1-2H3,(H3,23,24,25,26,27,28)
InChIKeyVQVLELFJGYXUSG-UHFFFAOYSA-N
XLogP3.56
TPSA136.45 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.46
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[[7-(4-fluoro-2-methylsulfonylanilino)-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile?
The IUPAC name of 6-[[7-(4-fluoro-2-methylsulfonylanilino)-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile (CID 134455365) is 6-[[7-(4-fluoro-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-fluoro-2-methylsulfonylanilino)-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile?
The canonical SMILES for 6-[[7-(4-fluoro-2-methylsulfonylanilino)-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile is Cc1nc2nc(Nc3cccc(C#N)n3)cc(Nc3ccc(F)cc3S(C)(=O)=O)c2[nH]1.
What is the InChIKey of 6-[[7-(4-fluoro-2-methylsulfonylanilino)-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile?
The InChIKey is VQVLELFJGYXUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN7O2S/c1-11-23-19-15(26-14-7-6-12(21)8-16(14)31(2,29)30)9-18(28-20(19)24-11)27-17-5-3-4-13(10-22)25-17/h3-9H,1-2H3,(H3,23,24,25,26,27,28).
What are the key properties of 6-[[7-(4-fluoro-2-methylsulfonylanilino)-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile?
6-[[7-(4-fluoro-2-methylsulfonylanilino)-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile has a molecular weight of 437.46 g/mol, XLogP of 3.56, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[7-(4-fluoro-2-methylsulfonylanilino)-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile is sourced from PubChem (CID 134455365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).