N-[2-[[2-(difluoromethyl)-5-[(5,6-dimethylpyrazin-2-yl)amino]-1H-imidazo[4,5-b]pyridin-7-yl]amino]-5-(3-methylimidazol-4-yl)phenyl]-N-methylmethanesulfonamide

C25H26F2N10O2S — CID 134455418

About N-[2-[[2-(difluoromethyl)-5-[(5,6-dimethylpyrazin-2-yl)amino]-1H-imidazo[4,5-b]pyridin-7-yl]amino]-5-(3-methylimidazol-4-yl)phenyl]-N-methylmethanesulfonamide

N-[2-[[2-(difluoromethyl)-5-[(5,6-dimethylpyrazin-2-yl)amino]-1H-imidazo[4,5-b]pyridin-7-yl]amino]-5-(3-methylimidazol-4-yl)phenyl]-N-methylmethanesulfonamide (PubChem CID 134455418) has the molecular formula C25H26F2N10O2S and a molecular weight of 568.61 g/mol. Its IUPAC name is N-[2-[[2-(difluoromethyl)-5-[(5,6-dimethylpyrazin-2-yl)amino]-1H-imidazo[4,5-b]pyridin-7-yl]amino]-5-(3-methylimidazol-4-yl)phenyl]-N-methylmethanesulfonamide.

Molecular Properties

• Compound Name: N-[2-[[2-(difluoromethyl)-5-[(5,6-dimethylpyrazin-2-yl)amino]-1H-imidazo[4,5-b]pyridin-7-yl]amino]-5-(3-methylimidazol-4-yl)phenyl]-N-methylmethanesulfonamide
• PubChem CID: 134455418
• Molecular Formula: C25H26F2N10O2S
• Molecular Weight: 568.61 g/mol
• Exact Mass: 568.19
• IUPAC Name: N-[2-[[2-(difluoromethyl)-5-[(5,6-dimethylpyrazin-2-yl)amino]-1H-imidazo[4,5-b]pyridin-7-yl]amino]-5-(3-methylimidazol-4-yl)phenyl]-N-methylmethanesulfonamide
• SMILES: Cc1ncc(Nc2cc(Nc3ccc(-c4cncn4C)cc3N(C)S(C)(=O)=O)c3[nH]c(C(F)F)nc3n2)nc1C
• InChI: InChI=1S/C25H26F2N10O2S/c1-13-14(2)30-21(11-29-13)32-20-9-17(22-24(33-20)35-25(34-22)23(26)27)31-16-7-6-15(19-10-28-12-36(19)3)8-18(16)37(4)40(5,38)39/h6-12,23H,1-5H3,(H3,30,31,32,33,34,35)
• InChIKey: UBDMMRCJFQRBSA-UHFFFAOYSA-N
• XLogP: 4.59
• TPSA: 146.61 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	568.61
LogP ≤ 5	4.59
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(difluoromethyl)-5-[(5,6-dimethylpyrazin-2-yl)amino]-1H-imidazo[4,5-b]pyridin-7-yl]amino]-5-(3-methylimidazol-4-yl)phenyl]-N-methylmethanesulfonamide?

The IUPAC name of N-[2-[[2-(difluoromethyl)-5-[(5,6-dimethylpyrazin-2-yl)amino]-1H-imidazo[4,5-b]pyridin-7-yl]amino]-5-(3-methylimidazol-4-yl)phenyl]-N-methylmethanesulfonamide (CID 134455418) is N-[2-[[2-(difluoromethyl)-5-[(5,6-dimethylpyrazin-2-yl)amino]-1H-imidazo[4,5-b]pyridin-7-yl]amino]-5-(3-methylimidazol-4-yl)phenyl]-N-methylmethanesulfonamide.

What is the SMILES notation for N-[2-[[2-(difluoromethyl)-5-[(5,6-dimethylpyrazin-2-yl)amino]-1H-imidazo[4,5-b]pyridin-7-yl]amino]-5-(3-methylimidazol-4-yl)phenyl]-N-methylmethanesulfonamide?

The canonical SMILES for N-[2-[[2-(difluoromethyl)-5-[(5,6-dimethylpyrazin-2-yl)amino]-1H-imidazo[4,5-b]pyridin-7-yl]amino]-5-(3-methylimidazol-4-yl)phenyl]-N-methylmethanesulfonamide is Cc1ncc(Nc2cc(Nc3ccc(-c4cncn4C)cc3N(C)S(C)(=O)=O)c3[nH]c(C(F)F)nc3n2)nc1C.

What is the InChIKey of N-[2-[[2-(difluoromethyl)-5-[(5,6-dimethylpyrazin-2-yl)amino]-1H-imidazo[4,5-b]pyridin-7-yl]amino]-5-(3-methylimidazol-4-yl)phenyl]-N-methylmethanesulfonamide?

The InChIKey is UBDMMRCJFQRBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F2N10O2S/c1-13-14(2)30-21(11-29-13)32-20-9-17(22-24(33-20)35-25(34-22)23(26)27)31-16-7-6-15(19-10-28-12-36(19)3)8-18(16)37(4)40(5,38)39/h6-12,23H,1-5H3,(H3,30,31,32,33,34,35).

What are the key properties of N-[2-[[2-(difluoromethyl)-5-[(5,6-dimethylpyrazin-2-yl)amino]-1H-imidazo[4,5-b]pyridin-7-yl]amino]-5-(3-methylimidazol-4-yl)phenyl]-N-methylmethanesulfonamide?

N-[2-[[2-(difluoromethyl)-5-[(5,6-dimethylpyrazin-2-yl)amino]-1H-imidazo[4,5-b]pyridin-7-yl]amino]-5-(3-methylimidazol-4-yl)phenyl]-N-methylmethanesulfonamide has a molecular weight of 568.61 g/mol, XLogP of 4.59, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[2-(difluoromethyl)-5-[(5,6-dimethylpyrazin-2-yl)amino]-1H-imidazo[4,5-b]pyridin-7-yl]amino]-5-(3-methylimidazol-4-yl)phenyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 134455418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).