5-N-(5,6-dimethylpyrazin-2-yl)-7-N-[4-(1,5-dimethylpyrazol-3-yl)-2-methylsulfonylphenyl]-2-methyl-1H-imidazo[4,5-b]pyridine-5,7-diamine

C25H27N9O2S — CID 134455450

IUPAC5-N-(5,6-dimethylpyrazin-2-yl)-7-N-[4-(1,5-dimethylpyrazol-3-yl)-2-methylsulfonylphenyl]-2-methyl-1H-imidazo[4,5-b]pyridine-5,7-diamine
SMILESCc1nc2nc(Nc3cnc(C)c(C)n3)cc(Nc3ccc(-c4cc(C)n(C)n4)cc3S(C)(=O)=O)c2[nH]1
InChIInChI=1S/C25H27N9O2S/c1-13-9-19(33-34(13)5)17-7-8-18(21(10-17)37(6,35)36)30-20-11-22(32-25-24(20)28-16(4)29-25)31-23-12-26-14(2)15(3)27-23/h7-12H,1-6H3,(H3,27,28,29,30,31,32)
InChIKeyMRYFEBRDOZYDOZ-UHFFFAOYSA-N
MW517.62 g/mol
LogP4.27
Rot. Bonds6

About 5-N-(5,6-dimethylpyrazin-2-yl)-7-N-[4-(1,5-dimethylpyrazol-3-yl)-2-methylsulfonylphenyl]-2-methyl-1H-imidazo[4,5-b]pyridine-5,7-diamine

5-N-(5,6-dimethylpyrazin-2-yl)-7-N-[4-(1,5-dimethylpyrazol-3-yl)-2-methylsulfonylphenyl]-2-methyl-1H-imidazo[4,5-b]pyridine-5,7-diamine (PubChem CID 134455450) has the molecular formula C25H27N9O2S and a molecular weight of 517.62 g/mol. Its IUPAC name is 5-N-(5,6-dimethylpyrazin-2-yl)-7-N-[4-(1,5-dimethylpyrazol-3-yl)-2-methylsulfonylphenyl]-2-methyl-1H-imidazo[4,5-b]pyridine-5,7-diamine.

Molecular Properties

Compound Name5-N-(5,6-dimethylpyrazin-2-yl)-7-N-[4-(1,5-dimethylpyrazol-3-yl)-2-methylsulfonylphenyl]-2-methyl-1H-imidazo[4,5-b]pyridine-5,7-diamine
PubChem CID134455450
Molecular FormulaC25H27N9O2S
Molecular Weight517.62 g/mol
Exact Mass517.20
IUPAC Name5-N-(5,6-dimethylpyrazin-2-yl)-7-N-[4-(1,5-dimethylpyrazol-3-yl)-2-methylsulfonylphenyl]-2-methyl-1H-imidazo[4,5-b]pyridine-5,7-diamine
SMILESCc1nc2nc(Nc3cnc(C)c(C)n3)cc(Nc3ccc(-c4cc(C)n(C)n4)cc3S(C)(=O)=O)c2[nH]1
InChIInChI=1S/C25H27N9O2S/c1-13-9-19(33-34(13)5)17-7-8-18(21(10-17)37(6,35)36)30-20-11-22(32-25-24(20)28-16(4)29-25)31-23-12-26-14(2)15(3)27-23/h7-12H,1-6H3,(H3,27,28,29,30,31,32)
InChIKeyMRYFEBRDOZYDOZ-UHFFFAOYSA-N
XLogP4.27
TPSA143.37 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.62
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 5-N-(5,6-dimethylpyrazin-2-yl)-7-N-[4-(1,5-dimethylpyrazol-3-yl)-2-methylsulfonylphenyl]-2-methyl-1H-imidazo[4,5-b]pyridine-5,7-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-N-(5,6-dimethylpyrazin-2-yl)-7-N-[4-(1,5-dimethylpyrazol-3-yl)-2-methylsulfonylphenyl]-2-methyl-1H-imidazo[4,5-b]pyridine-5,7-diamine?
The IUPAC name of 5-N-(5,6-dimethylpyrazin-2-yl)-7-N-[4-(1,5-dimethylpyrazol-3-yl)-2-methylsulfonylphenyl]-2-methyl-1H-imidazo[4,5-b]pyridine-5,7-diamine (CID 134455450) is 5-N-(5,6-dimethylpyrazin-2-yl)-7-N-[4-(1,5-dimethylpyrazol-3-yl)-2-methylsulfonylphenyl]-2-methyl-1H-imidazo[4,5-b]pyridine-5,7-diamine.
What is the SMILES notation for 5-N-(5,6-dimethylpyrazin-2-yl)-7-N-[4-(1,5-dimethylpyrazol-3-yl)-2-methylsulfonylphenyl]-2-methyl-1H-imidazo[4,5-b]pyridine-5,7-diamine?
The canonical SMILES for 5-N-(5,6-dimethylpyrazin-2-yl)-7-N-[4-(1,5-dimethylpyrazol-3-yl)-2-methylsulfonylphenyl]-2-methyl-1H-imidazo[4,5-b]pyridine-5,7-diamine is Cc1nc2nc(Nc3cnc(C)c(C)n3)cc(Nc3ccc(-c4cc(C)n(C)n4)cc3S(C)(=O)=O)c2[nH]1.
What is the InChIKey of 5-N-(5,6-dimethylpyrazin-2-yl)-7-N-[4-(1,5-dimethylpyrazol-3-yl)-2-methylsulfonylphenyl]-2-methyl-1H-imidazo[4,5-b]pyridine-5,7-diamine?
The InChIKey is MRYFEBRDOZYDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N9O2S/c1-13-9-19(33-34(13)5)17-7-8-18(21(10-17)37(6,35)36)30-20-11-22(32-25-24(20)28-16(4)29-25)31-23-12-26-14(2)15(3)27-23/h7-12H,1-6H3,(H3,27,28,29,30,31,32).
What are the key properties of 5-N-(5,6-dimethylpyrazin-2-yl)-7-N-[4-(1,5-dimethylpyrazol-3-yl)-2-methylsulfonylphenyl]-2-methyl-1H-imidazo[4,5-b]pyridine-5,7-diamine?
5-N-(5,6-dimethylpyrazin-2-yl)-7-N-[4-(1,5-dimethylpyrazol-3-yl)-2-methylsulfonylphenyl]-2-methyl-1H-imidazo[4,5-b]pyridine-5,7-diamine has a molecular weight of 517.62 g/mol, XLogP of 4.27, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(5,6-dimethylpyrazin-2-yl)-7-N-[4-(1,5-dimethylpyrazol-3-yl)-2-methylsulfonylphenyl]-2-methyl-1H-imidazo[4,5-b]pyridine-5,7-diamine is sourced from PubChem (CID 134455450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).