N-[2-[[5-chloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-methylphenyl]-N-methylmethanesulfonamide;5,6-dimethylpyrazin-2-amine;N-[2-[[5-[(5,6-dimethylpyrazin-2-yl)methyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-methylphenyl]-N-methylmethanesulfonamide;N-[2-[[5-[(5,6-dimethylpyrazin-2-yl)methyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-yl]amino]-5-methylphenyl]-N-methylmethanesulfonamide

C79H98ClN21O8S3 — CID 160954811

About N-[2-[[5-chloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-methylphenyl]-N-methylmethanesulfonamide;5,6-dimethylpyrazin-2-amine;N-[2-[[5-[(5,6-dimethylpyrazin-2-yl)methyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-methylphenyl]-N-methylmethanesulfonamide;N-[2-[[5-[(5,6-dimethylpyrazin-2-yl)methyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-yl]amino]-5-methylphenyl]-N-methylmethanesulfonamide

N-[2-[[5-chloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-methylphenyl]-N-methylmethanesulfonamide;5,6-dimethylpyrazin-2-amine;N-[2-[[5-[(5,6-dimethylpyrazin-2-yl)methyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-methylphenyl]-N-methylmethanesulfonamide;N-[2-[[5-[(5,6-dimethylpyrazin-2-yl)methyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-yl]amino]-5-methylphenyl]-N-methylmethanesulfonamide (PubChem CID 160954811) has the molecular formula C79H98ClN21O8S3 and a molecular weight of 1601.45 g/mol. Its IUPAC name is N-[2-[[5-chloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-methylphenyl]-N-methylmethanesulfonamide;5,6-dimethylpyrazin-2-amine;N-[2-[[5-[(5,6-dimethylpyrazin-2-yl)methyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-methylphenyl]-N-methylmethanesulfonamide;N-[2-[[5-[(5,6-dimethylpyrazin-2-yl)methyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-yl]amino]-5-methylphenyl]-N-methylmethanesulfonamide.

Molecular Properties

• Compound Name: N-[2-[[5-chloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-methylphenyl]-N-methylmethanesulfonamide;5,6-dimethylpyrazin-2-amine;N-[2-[[5-[(5,6-dimethylpyrazin-2-yl)methyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-methylphenyl]-N-methylmethanesulfonamide;N-[2-[[5-[(5,6-dimethylpyrazin-2-yl)methyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-yl]amino]-5-methylphenyl]-N-methylmethanesulfonamide
• PubChem CID: 160954811
• Molecular Formula: C79H98ClN21O8S3
• Molecular Weight: 1601.45 g/mol
• Exact Mass: 1599.68
• IUPAC Name: N-[2-[[5-chloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-methylphenyl]-N-methylmethanesulfonamide;5,6-dimethylpyrazin-2-amine;N-[2-[[5-[(5,6-dimethylpyrazin-2-yl)methyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-methylphenyl]-N-methylmethanesulfonamide;N-[2-[[5-[(5,6-dimethylpyrazin-2-yl)methyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-yl]amino]-5-methylphenyl]-N-methylmethanesulfonamide
• SMILES: CC1=Nc2c(Nc3ccc(C)cc3N(C)S(C)(=O)=O)cc(Cc3cnc(C)c(C)n3)nc2C1.Cc1ccc(Nc2cc(Cc3cnc(C)c(C)n3)nc3c2nc(C)n3C2CCCCO2)c(N(C)S(C)(=O)=O)c1.Cc1ccc(Nc2cc(Cl)nc3c2nc(C)n3C2CCCCO2)c(N(C)S(C)(=O)=O)c1.Cc1ncc(N)nc1C
• InChI: InChI=1S/C28H35N7O3S.C24H28N6O2S.C21H26ClN5O3S.C6H9N3/c1-17-10-11-23(25(13-17)34(5)39(6,36)37)33-24-15-21(14-22-16-29-18(2)19(3)30-22)32-28-27(24)31-20(4)35(28)26-9-7-8-12-38-26;1-14-7-8-20(23(9-14)30(5)33(6,31)32)29-22-12-18(28-21-10-15(2)26-24(21)22)11-19-13-25-16(3)17(4)27-19;1-13-8-9-15(17(11-13)26(3)31(4,28)29)24-16-12-18(22)25-21-20(16)23-14(2)27(21)19-7-5-6-10-30-19;1-4-5(2)9-6(7)3-8-4/h10-11,13,15-16,26H,7-9,12,14H2,1-6H3,(H,32,33);7-9,12-13H,10-11H2,1-6H3,(H,28,29);8-9,11-12,19H,5-7,10H2,1-4H3,(H,24,25);3H,1-2H3,(H2,7,9)
• InChIKey: SWGAXIPGAUMFJV-UHFFFAOYSA-N
• XLogP: 14.28
• TPSA: 356.72 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 26
• Rotatable Bonds: 18
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1601.45
LogP ≤ 5	14.28
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-chloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-methylphenyl]-N-methylmethanesulfonamide;5,6-dimethylpyrazin-2-amine;N-[2-[[5-[(5,6-dimethylpyrazin-2-yl)methyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-methylphenyl]-N-methylmethanesulfonamide;N-[2-[[5-[(5,6-dimethylpyrazin-2-yl)methyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-yl]amino]-5-methylphenyl]-N-methylmethanesulfonamide?

The IUPAC name of N-[2-[[5-chloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-methylphenyl]-N-methylmethanesulfonamide;5,6-dimethylpyrazin-2-amine;N-[2-[[5-[(5,6-dimethylpyrazin-2-yl)methyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-methylphenyl]-N-methylmethanesulfonamide;N-[2-[[5-[(5,6-dimethylpyrazin-2-yl)methyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-yl]amino]-5-methylphenyl]-N-methylmethanesulfonamide (CID 160954811) is N-[2-[[5-chloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-methylphenyl]-N-methylmethanesulfonamide;5,6-dimethylpyrazin-2-amine;N-[2-[[5-[(5,6-dimethylpyrazin-2-yl)methyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-methylphenyl]-N-methylmethanesulfonamide;N-[2-[[5-[(5,6-dimethylpyrazin-2-yl)methyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-yl]amino]-5-methylphenyl]-N-methylmethanesulfonamide.

What is the SMILES notation for N-[2-[[5-chloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-methylphenyl]-N-methylmethanesulfonamide;5,6-dimethylpyrazin-2-amine;N-[2-[[5-[(5,6-dimethylpyrazin-2-yl)methyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-methylphenyl]-N-methylmethanesulfonamide;N-[2-[[5-[(5,6-dimethylpyrazin-2-yl)methyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-yl]amino]-5-methylphenyl]-N-methylmethanesulfonamide?

The canonical SMILES for N-[2-[[5-chloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-methylphenyl]-N-methylmethanesulfonamide;5,6-dimethylpyrazin-2-amine;N-[2-[[5-[(5,6-dimethylpyrazin-2-yl)methyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-methylphenyl]-N-methylmethanesulfonamide;N-[2-[[5-[(5,6-dimethylpyrazin-2-yl)methyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-yl]amino]-5-methylphenyl]-N-methylmethanesulfonamide is CC1=Nc2c(Nc3ccc(C)cc3N(C)S(C)(=O)=O)cc(Cc3cnc(C)c(C)n3)nc2C1.Cc1ccc(Nc2cc(Cc3cnc(C)c(C)n3)nc3c2nc(C)n3C2CCCCO2)c(N(C)S(C)(=O)=O)c1.Cc1ccc(Nc2cc(Cl)nc3c2nc(C)n3C2CCCCO2)c(N(C)S(C)(=O)=O)c1.Cc1ncc(N)nc1C.

What is the InChIKey of N-[2-[[5-chloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-methylphenyl]-N-methylmethanesulfonamide;5,6-dimethylpyrazin-2-amine;N-[2-[[5-[(5,6-dimethylpyrazin-2-yl)methyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-methylphenyl]-N-methylmethanesulfonamide;N-[2-[[5-[(5,6-dimethylpyrazin-2-yl)methyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-yl]amino]-5-methylphenyl]-N-methylmethanesulfonamide?

The InChIKey is SWGAXIPGAUMFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N7O3S.C24H28N6O2S.C21H26ClN5O3S.C6H9N3/c1-17-10-11-23(25(13-17)34(5)39(6,36)37)33-24-15-21(14-22-16-29-18(2)19(3)30-22)32-28-27(24)31-20(4)35(28)26-9-7-8-12-38-26;1-14-7-8-20(23(9-14)30(5)33(6,31)32)29-22-12-18(28-21-10-15(2)26-24(21)22)11-19-13-25-16(3)17(4)27-19;1-13-8-9-15(17(11-13)26(3)31(4,28)29)24-16-12-18(22)25-21-20(16)23-14(2)27(21)19-7-5-6-10-30-19;1-4-5(2)9-6(7)3-8-4/h10-11,13,15-16,26H,7-9,12,14H2,1-6H3,(H,32,33);7-9,12-13H,10-11H2,1-6H3,(H,28,29);8-9,11-12,19H,5-7,10H2,1-4H3,(H,24,25);3H,1-2H3,(H2,7,9).

What are the key properties of N-[2-[[5-chloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-methylphenyl]-N-methylmethanesulfonamide;5,6-dimethylpyrazin-2-amine;N-[2-[[5-[(5,6-dimethylpyrazin-2-yl)methyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-methylphenyl]-N-methylmethanesulfonamide;N-[2-[[5-[(5,6-dimethylpyrazin-2-yl)methyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-yl]amino]-5-methylphenyl]-N-methylmethanesulfonamide?

N-[2-[[5-chloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-methylphenyl]-N-methylmethanesulfonamide;5,6-dimethylpyrazin-2-amine;N-[2-[[5-[(5,6-dimethylpyrazin-2-yl)methyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-methylphenyl]-N-methylmethanesulfonamide;N-[2-[[5-[(5,6-dimethylpyrazin-2-yl)methyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-yl]amino]-5-methylphenyl]-N-methylmethanesulfonamide has a molecular weight of 1601.45 g/mol, XLogP of 14.28, 18 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[5-chloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-methylphenyl]-N-methylmethanesulfonamide;5,6-dimethylpyrazin-2-amine;N-[2-[[5-[(5,6-dimethylpyrazin-2-yl)methyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-methylphenyl]-N-methylmethanesulfonamide;N-[2-[[5-[(5,6-dimethylpyrazin-2-yl)methyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-yl]amino]-5-methylphenyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 160954811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).