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

C25H23N9O2S — CID 134455952

IUPAC6-[[7-[4-(1,5-dimethylimidazol-2-yl)-2-methylsulfonylanilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile
SMILESCc1nc2nc(Nc3cccc(C#N)n3)cc(Nc3ccc(-c4ncc(C)n4C)cc3S(C)(=O)=O)c2[nH]1
InChIInChI=1S/C25H23N9O2S/c1-14-13-27-25(34(14)3)16-8-9-18(20(10-16)37(4,35)36)31-19-11-22(33-24-23(19)28-15(2)29-24)32-21-7-5-6-17(12-26)30-21/h5-11,13H,1-4H3,(H3,28,29,30,31,32,33)
InChIKeyAMHKETHCYRCJNM-UHFFFAOYSA-N
MW513.59 g/mol
LogP4.13
Rot. Bonds6

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

6-[[7-[4-(1,5-dimethylimidazol-2-yl)-2-methylsulfonylanilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile (PubChem CID 134455952) has the molecular formula C25H23N9O2S and a molecular weight of 513.59 g/mol. Its IUPAC name is 6-[[7-[4-(1,5-dimethylimidazol-2-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-dimethylimidazol-2-yl)-2-methylsulfonylanilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile
PubChem CID134455952
Molecular FormulaC25H23N9O2S
Molecular Weight513.59 g/mol
Exact Mass513.17
IUPAC Name6-[[7-[4-(1,5-dimethylimidazol-2-yl)-2-methylsulfonylanilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile
SMILESCc1nc2nc(Nc3cccc(C#N)n3)cc(Nc3ccc(-c4ncc(C)n4C)cc3S(C)(=O)=O)c2[nH]1
InChIInChI=1S/C25H23N9O2S/c1-14-13-27-25(34(14)3)16-8-9-18(20(10-16)37(4,35)36)31-19-11-22(33-24-23(19)28-15(2)29-24)32-21-7-5-6-17(12-26)30-21/h5-11,13H,1-4H3,(H3,28,29,30,31,32,33)
InChIKeyAMHKETHCYRCJNM-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-dimethylimidazol-2-yl)-2-methylsulfonylanilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[[7-[4-(1,5-dimethylimidazol-2-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-dimethylimidazol-2-yl)-2-methylsulfonylanilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile (CID 134455952) is 6-[[7-[4-(1,5-dimethylimidazol-2-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-dimethylimidazol-2-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-dimethylimidazol-2-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(-c4ncc(C)n4C)cc3S(C)(=O)=O)c2[nH]1.
What is the InChIKey of 6-[[7-[4-(1,5-dimethylimidazol-2-yl)-2-methylsulfonylanilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile?
The InChIKey is AMHKETHCYRCJNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N9O2S/c1-14-13-27-25(34(14)3)16-8-9-18(20(10-16)37(4,35)36)31-19-11-22(33-24-23(19)28-15(2)29-24)32-21-7-5-6-17(12-26)30-21/h5-11,13H,1-4H3,(H3,28,29,30,31,32,33).
What are the key properties of 6-[[7-[4-(1,5-dimethylimidazol-2-yl)-2-methylsulfonylanilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile?
6-[[7-[4-(1,5-dimethylimidazol-2-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-dimethylimidazol-2-yl)-2-methylsulfonylanilino]-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]amino]pyridine-2-carbonitrile is sourced from PubChem (CID 134455952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).