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

C23H22F3N7O2 — CID 134456377

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

N-[2-(difluoromethyl)-7-[4-(1,5-dimethylpyrazol-3-yl)-3-fluoro-2-methoxyanilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide (PubChem CID 134456377) has the molecular formula C23H22F3N7O2 and a molecular weight of 485.47 g/mol. Its IUPAC name is N-[2-(difluoromethyl)-7-[4-(1,5-dimethylpyrazol-3-yl)-3-fluoro-2-methoxyanilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: N-[2-(difluoromethyl)-7-[4-(1,5-dimethylpyrazol-3-yl)-3-fluoro-2-methoxyanilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
• PubChem CID: 134456377
• Molecular Formula: C23H22F3N7O2
• Molecular Weight: 485.47 g/mol
• Exact Mass: 485.18
• IUPAC Name: N-[2-(difluoromethyl)-7-[4-(1,5-dimethylpyrazol-3-yl)-3-fluoro-2-methoxyanilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
• SMILES: COc1c(Nc2cc(NC(=O)C3CC3)nc3nc(C(F)F)[nH]c23)ccc(-c2cc(C)n(C)n2)c1F
• InChI: InChI=1S/C23H22F3N7O2/c1-10-8-14(32-33(10)2)12-6-7-13(19(35-3)17(12)24)27-15-9-16(29-23(34)11-4-5-11)28-21-18(15)30-22(31-21)20(25)26/h6-9,11,20H,4-5H2,1-3H3,(H3,27,28,29,30,31,34)
• InChIKey: JTKFTIPPTWMNJE-UHFFFAOYSA-N
• XLogP: 4.84
• TPSA: 109.75 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.47
LogP ≤ 5	4.84
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[2-(difluoromethyl)-7-[4-(1,5-dimethylpyrazol-3-yl)-3-fluoro-2-methoxyanilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide (CID 134456377) is N-[2-(difluoromethyl)-7-[4-(1,5-dimethylpyrazol-3-yl)-3-fluoro-2-methoxyanilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide.

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

The canonical SMILES for N-[2-(difluoromethyl)-7-[4-(1,5-dimethylpyrazol-3-yl)-3-fluoro-2-methoxyanilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide is COc1c(Nc2cc(NC(=O)C3CC3)nc3nc(C(F)F)[nH]c23)ccc(-c2cc(C)n(C)n2)c1F.

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

The InChIKey is JTKFTIPPTWMNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N7O2/c1-10-8-14(32-33(10)2)12-6-7-13(19(35-3)17(12)24)27-15-9-16(29-23(34)11-4-5-11)28-21-18(15)30-22(31-21)20(25)26/h6-9,11,20H,4-5H2,1-3H3,(H3,27,28,29,30,31,34).

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

N-[2-(difluoromethyl)-7-[4-(1,5-dimethylpyrazol-3-yl)-3-fluoro-2-methoxyanilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide has a molecular weight of 485.47 g/mol, XLogP of 4.84, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(difluoromethyl)-7-[4-(1,5-dimethylpyrazol-3-yl)-3-fluoro-2-methoxyanilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide is sourced from PubChem (CID 134456377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).