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

C25H26N8O2S2 — CID 134455589

IUPAC5-N-(5,6-dimethylpyrazin-2-yl)-7-N-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylsulfonylphenyl]-2-methyl-1H-imidazo[4,5-b]pyridine-5,7-diamine
SMILESCc1nc2nc(Nc3cnc(C)c(C)n3)cc(Nc3ccc(-c4nc(C)c(C)s4)cc3S(C)(=O)=O)c2[nH]1
InChIInChI=1S/C25H26N8O2S2/c1-12-13(2)27-22(11-26-12)32-21-10-19(23-24(33-21)30-16(5)29-23)31-18-8-7-17(9-20(18)37(6,34)35)25-28-14(3)15(4)36-25/h7-11H,1-6H3,(H3,27,29,30,31,32,33)
InChIKeyXWKZUABILMSNEK-UHFFFAOYSA-N
MW534.67 g/mol
LogP5.30
Rot. Bonds6

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

5-N-(5,6-dimethylpyrazin-2-yl)-7-N-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylsulfonylphenyl]-2-methyl-1H-imidazo[4,5-b]pyridine-5,7-diamine (PubChem CID 134455589) has the molecular formula C25H26N8O2S2 and a molecular weight of 534.67 g/mol. Its IUPAC name is 5-N-(5,6-dimethylpyrazin-2-yl)-7-N-[4-(4,5-dimethyl-1,3-thiazol-2-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-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylsulfonylphenyl]-2-methyl-1H-imidazo[4,5-b]pyridine-5,7-diamine
PubChem CID134455589
Molecular FormulaC25H26N8O2S2
Molecular Weight534.67 g/mol
Exact Mass534.16
IUPAC Name5-N-(5,6-dimethylpyrazin-2-yl)-7-N-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylsulfonylphenyl]-2-methyl-1H-imidazo[4,5-b]pyridine-5,7-diamine
SMILESCc1nc2nc(Nc3cnc(C)c(C)n3)cc(Nc3ccc(-c4nc(C)c(C)s4)cc3S(C)(=O)=O)c2[nH]1
InChIInChI=1S/C25H26N8O2S2/c1-12-13(2)27-22(11-26-12)32-21-10-19(23-24(33-21)30-16(5)29-23)31-18-8-7-17(9-20(18)37(6,34)35)25-28-14(3)15(4)36-25/h7-11H,1-6H3,(H3,27,29,30,31,32,33)
InChIKeyXWKZUABILMSNEK-UHFFFAOYSA-N
XLogP5.30
TPSA138.44 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.67
LogP ≤ 55.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 5-N-(5,6-dimethylpyrazin-2-yl)-7-N-[4-(4,5-dimethyl-1,3-thiazol-2-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-(4,5-dimethyl-1,3-thiazol-2-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-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylsulfonylphenyl]-2-methyl-1H-imidazo[4,5-b]pyridine-5,7-diamine (CID 134455589) is 5-N-(5,6-dimethylpyrazin-2-yl)-7-N-[4-(4,5-dimethyl-1,3-thiazol-2-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-(4,5-dimethyl-1,3-thiazol-2-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-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylsulfonylphenyl]-2-methyl-1H-imidazo[4,5-b]pyridine-5,7-diamine is Cc1nc2nc(Nc3cnc(C)c(C)n3)cc(Nc3ccc(-c4nc(C)c(C)s4)cc3S(C)(=O)=O)c2[nH]1.
What is the InChIKey of 5-N-(5,6-dimethylpyrazin-2-yl)-7-N-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylsulfonylphenyl]-2-methyl-1H-imidazo[4,5-b]pyridine-5,7-diamine?
The InChIKey is XWKZUABILMSNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N8O2S2/c1-12-13(2)27-22(11-26-12)32-21-10-19(23-24(33-21)30-16(5)29-23)31-18-8-7-17(9-20(18)37(6,34)35)25-28-14(3)15(4)36-25/h7-11H,1-6H3,(H3,27,29,30,31,32,33).
What are the key properties of 5-N-(5,6-dimethylpyrazin-2-yl)-7-N-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylsulfonylphenyl]-2-methyl-1H-imidazo[4,5-b]pyridine-5,7-diamine?
5-N-(5,6-dimethylpyrazin-2-yl)-7-N-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylsulfonylphenyl]-2-methyl-1H-imidazo[4,5-b]pyridine-5,7-diamine has a molecular weight of 534.67 g/mol, XLogP of 5.30, 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-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylsulfonylphenyl]-2-methyl-1H-imidazo[4,5-b]pyridine-5,7-diamine is sourced from PubChem (CID 134455589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).