6-[[2-methyl-7-(2-methylsulfonylanilino)-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-(oxan-4-yloxy)pyridine-2-carbonitrile

C25H25N7O4S — CID 134455332

IUPAC6-[[2-methyl-7-(2-methylsulfonylanilino)-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-(oxan-4-yloxy)pyridine-2-carbonitrile
SMILESCc1nc2nc(Nc3ccc(OC4CCOCC4)c(C#N)n3)cc(Nc3ccccc3S(C)(=O)=O)c2[nH]1
InChIInChI=1S/C25H25N7O4S/c1-15-27-24-18(29-17-5-3-4-6-21(17)37(2,33)34)13-23(32-25(24)28-15)31-22-8-7-20(19(14-26)30-22)36-16-9-11-35-12-10-16/h3-8,13,16H,9-12H2,1-2H3,(H3,27,28,29,30,31,32)
InChIKeyGIEKGGCLIMXQOX-UHFFFAOYSA-N
MW519.59 g/mol
LogP3.98
Rot. Bonds7

About 6-[[2-methyl-7-(2-methylsulfonylanilino)-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-(oxan-4-yloxy)pyridine-2-carbonitrile

6-[[2-methyl-7-(2-methylsulfonylanilino)-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-(oxan-4-yloxy)pyridine-2-carbonitrile (PubChem CID 134455332) has the molecular formula C25H25N7O4S and a molecular weight of 519.59 g/mol. Its IUPAC name is 6-[[2-methyl-7-(2-methylsulfonylanilino)-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-(oxan-4-yloxy)pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[[2-methyl-7-(2-methylsulfonylanilino)-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-(oxan-4-yloxy)pyridine-2-carbonitrile
PubChem CID134455332
Molecular FormulaC25H25N7O4S
Molecular Weight519.59 g/mol
Exact Mass519.17
IUPAC Name6-[[2-methyl-7-(2-methylsulfonylanilino)-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-(oxan-4-yloxy)pyridine-2-carbonitrile
SMILESCc1nc2nc(Nc3ccc(OC4CCOCC4)c(C#N)n3)cc(Nc3ccccc3S(C)(=O)=O)c2[nH]1
InChIInChI=1S/C25H25N7O4S/c1-15-27-24-18(29-17-5-3-4-6-21(17)37(2,33)34)13-23(32-25(24)28-15)31-22-8-7-20(19(14-26)30-22)36-16-9-11-35-12-10-16/h3-8,13,16H,9-12H2,1-2H3,(H3,27,28,29,30,31,32)
InChIKeyGIEKGGCLIMXQOX-UHFFFAOYSA-N
XLogP3.98
TPSA154.91 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.59
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-methyl-7-(2-methylsulfonylanilino)-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-(oxan-4-yloxy)pyridine-2-carbonitrile?
The IUPAC name of 6-[[2-methyl-7-(2-methylsulfonylanilino)-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-(oxan-4-yloxy)pyridine-2-carbonitrile (CID 134455332) is 6-[[2-methyl-7-(2-methylsulfonylanilino)-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-(oxan-4-yloxy)pyridine-2-carbonitrile.
What is the SMILES notation for 6-[[2-methyl-7-(2-methylsulfonylanilino)-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-(oxan-4-yloxy)pyridine-2-carbonitrile?
The canonical SMILES for 6-[[2-methyl-7-(2-methylsulfonylanilino)-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-(oxan-4-yloxy)pyridine-2-carbonitrile is Cc1nc2nc(Nc3ccc(OC4CCOCC4)c(C#N)n3)cc(Nc3ccccc3S(C)(=O)=O)c2[nH]1.
What is the InChIKey of 6-[[2-methyl-7-(2-methylsulfonylanilino)-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-(oxan-4-yloxy)pyridine-2-carbonitrile?
The InChIKey is GIEKGGCLIMXQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O4S/c1-15-27-24-18(29-17-5-3-4-6-21(17)37(2,33)34)13-23(32-25(24)28-15)31-22-8-7-20(19(14-26)30-22)36-16-9-11-35-12-10-16/h3-8,13,16H,9-12H2,1-2H3,(H3,27,28,29,30,31,32).
What are the key properties of 6-[[2-methyl-7-(2-methylsulfonylanilino)-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-(oxan-4-yloxy)pyridine-2-carbonitrile?
6-[[2-methyl-7-(2-methylsulfonylanilino)-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-(oxan-4-yloxy)pyridine-2-carbonitrile has a molecular weight of 519.59 g/mol, XLogP of 3.98, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-methyl-7-(2-methylsulfonylanilino)-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-(oxan-4-yloxy)pyridine-2-carbonitrile is sourced from PubChem (CID 134455332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).