N-[2-(difluoromethyl)-7-[4-(1,4-dimethylpyrazol-3-yl)-2-methylsulfonylanilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide

C23H23F2N7O3S — CID 134455390

About N-[2-(difluoromethyl)-7-[4-(1,4-dimethylpyrazol-3-yl)-2-methylsulfonylanilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide

N-[2-(difluoromethyl)-7-[4-(1,4-dimethylpyrazol-3-yl)-2-methylsulfonylanilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide (PubChem CID 134455390) has the molecular formula C23H23F2N7O3S and a molecular weight of 515.55 g/mol. Its IUPAC name is N-[2-(difluoromethyl)-7-[4-(1,4-dimethylpyrazol-3-yl)-2-methylsulfonylanilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: N-[2-(difluoromethyl)-7-[4-(1,4-dimethylpyrazol-3-yl)-2-methylsulfonylanilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
• PubChem CID: 134455390
• Molecular Formula: C23H23F2N7O3S
• Molecular Weight: 515.55 g/mol
• Exact Mass: 515.16
• IUPAC Name: N-[2-(difluoromethyl)-7-[4-(1,4-dimethylpyrazol-3-yl)-2-methylsulfonylanilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
• SMILES: Cc1cn(C)nc1-c1ccc(Nc2cc(NC(=O)C3CC3)nc3nc(C(F)F)[nH]c23)c(S(C)(=O)=O)c1
• InChI: InChI=1S/C23H23F2N7O3S/c1-11-10-32(2)31-18(11)13-6-7-14(16(8-13)36(3,34)35)26-15-9-17(28-23(33)12-4-5-12)27-21-19(15)29-22(30-21)20(24)25/h6-10,12,20H,4-5H2,1-3H3,(H3,26,27,28,29,30,33)
• InChIKey: TUVSKGVQGHJWPM-UHFFFAOYSA-N
• XLogP: 4.10
• TPSA: 134.66 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	515.55
LogP ≤ 5	4.10
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethyl)-7-[4-(1,4-dimethylpyrazol-3-yl)-2-methylsulfonylanilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide?

The IUPAC name of N-[2-(difluoromethyl)-7-[4-(1,4-dimethylpyrazol-3-yl)-2-methylsulfonylanilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide (CID 134455390) is N-[2-(difluoromethyl)-7-[4-(1,4-dimethylpyrazol-3-yl)-2-methylsulfonylanilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide.

What is the SMILES notation for N-[2-(difluoromethyl)-7-[4-(1,4-dimethylpyrazol-3-yl)-2-methylsulfonylanilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide?

The canonical SMILES for N-[2-(difluoromethyl)-7-[4-(1,4-dimethylpyrazol-3-yl)-2-methylsulfonylanilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide is Cc1cn(C)nc1-c1ccc(Nc2cc(NC(=O)C3CC3)nc3nc(C(F)F)[nH]c23)c(S(C)(=O)=O)c1.

What is the InChIKey of N-[2-(difluoromethyl)-7-[4-(1,4-dimethylpyrazol-3-yl)-2-methylsulfonylanilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide?

The InChIKey is TUVSKGVQGHJWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N7O3S/c1-11-10-32(2)31-18(11)13-6-7-14(16(8-13)36(3,34)35)26-15-9-17(28-23(33)12-4-5-12)27-21-19(15)29-22(30-21)20(24)25/h6-10,12,20H,4-5H2,1-3H3,(H3,26,27,28,29,30,33).

What are the key properties of N-[2-(difluoromethyl)-7-[4-(1,4-dimethylpyrazol-3-yl)-2-methylsulfonylanilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide?

N-[2-(difluoromethyl)-7-[4-(1,4-dimethylpyrazol-3-yl)-2-methylsulfonylanilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide has a molecular weight of 515.55 g/mol, XLogP of 4.10, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(difluoromethyl)-7-[4-(1,4-dimethylpyrazol-3-yl)-2-methylsulfonylanilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide is sourced from PubChem (CID 134455390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).