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

C20H20F4N8O2S — CID 134455416

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

N-[5-(difluoromethyl)-2-[[2-(difluoromethyl)-5-[(1-methylpyrazol-3-yl)amino]-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide (PubChem CID 134455416) has the molecular formula C20H20F4N8O2S and a molecular weight of 512.49 g/mol. Its IUPAC name is N-[5-(difluoromethyl)-2-[[2-(difluoromethyl)-5-[(1-methylpyrazol-3-yl)amino]-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide.

Molecular Properties

• Compound Name: N-[5-(difluoromethyl)-2-[[2-(difluoromethyl)-5-[(1-methylpyrazol-3-yl)amino]-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide
• PubChem CID: 134455416
• Molecular Formula: C20H20F4N8O2S
• Molecular Weight: 512.49 g/mol
• Exact Mass: 512.14
• IUPAC Name: N-[5-(difluoromethyl)-2-[[2-(difluoromethyl)-5-[(1-methylpyrazol-3-yl)amino]-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide
• SMILES: CN(c1cc(C(F)F)ccc1Nc1cc(Nc2ccn(C)n2)nc2nc(C(F)F)[nH]c12)S(C)(=O)=O
• InChI: InChI=1S/C20H20F4N8O2S/c1-31-7-6-14(30-31)26-15-9-12(16-19(27-15)29-20(28-16)18(23)24)25-11-5-4-10(17(21)22)8-13(11)32(2)35(3,33)34/h4-9,17-18H,1-3H3,(H3,25,26,27,28,29,30)
• InChIKey: DNWUQTXMSMRLGP-UHFFFAOYSA-N
• XLogP: 4.45
• TPSA: 120.83 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	512.49
LogP ≤ 5	4.45
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[5-(difluoromethyl)-2-[[2-(difluoromethyl)-5-[(1-methylpyrazol-3-yl)amino]-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide (CID 134455416) is N-[5-(difluoromethyl)-2-[[2-(difluoromethyl)-5-[(1-methylpyrazol-3-yl)amino]-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide.

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

The canonical SMILES for N-[5-(difluoromethyl)-2-[[2-(difluoromethyl)-5-[(1-methylpyrazol-3-yl)amino]-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide is CN(c1cc(C(F)F)ccc1Nc1cc(Nc2ccn(C)n2)nc2nc(C(F)F)[nH]c12)S(C)(=O)=O.

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

The InChIKey is DNWUQTXMSMRLGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F4N8O2S/c1-31-7-6-14(30-31)26-15-9-12(16-19(27-15)29-20(28-16)18(23)24)25-11-5-4-10(17(21)22)8-13(11)32(2)35(3,33)34/h4-9,17-18H,1-3H3,(H3,25,26,27,28,29,30).

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

N-[5-(difluoromethyl)-2-[[2-(difluoromethyl)-5-[(1-methylpyrazol-3-yl)amino]-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide has a molecular weight of 512.49 g/mol, XLogP of 4.45, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(difluoromethyl)-2-[[2-(difluoromethyl)-5-[(1-methylpyrazol-3-yl)amino]-1H-imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 134455416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).