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

C22H22F2N8O2 — CID 134455824

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

N-[2-(difluoromethyl)-7-[4-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-methoxyanilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide (PubChem CID 134455824) has the molecular formula C22H22F2N8O2 and a molecular weight of 468.47 g/mol. Its IUPAC name is N-[2-(difluoromethyl)-7-[4-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-methoxyanilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: N-[2-(difluoromethyl)-7-[4-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-methoxyanilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
• PubChem CID: 134455824
• Molecular Formula: C22H22F2N8O2
• Molecular Weight: 468.47 g/mol
• Exact Mass: 468.18
• IUPAC Name: N-[2-(difluoromethyl)-7-[4-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-methoxyanilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
• SMILES: COc1cc(-c2nc(C)nn2C)ccc1Nc1cc(NC(=O)C2CC2)nc2nc(C(F)F)[nH]c12
• InChI: InChI=1S/C22H22F2N8O2/c1-10-25-21(32(2)31-10)12-6-7-13(15(8-12)34-3)26-14-9-16(28-22(33)11-4-5-11)27-19-17(14)29-20(30-19)18(23)24/h6-9,11,18H,4-5H2,1-3H3,(H3,26,27,28,29,30,33)
• InChIKey: IDFOBSSDILHUNK-UHFFFAOYSA-N
• XLogP: 4.10
• TPSA: 122.64 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	468.47
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-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-methoxyanilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide?

The IUPAC name of N-[2-(difluoromethyl)-7-[4-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-methoxyanilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide (CID 134455824) is N-[2-(difluoromethyl)-7-[4-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-methoxyanilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide.

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

The canonical SMILES for N-[2-(difluoromethyl)-7-[4-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-methoxyanilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide is COc1cc(-c2nc(C)nn2C)ccc1Nc1cc(NC(=O)C2CC2)nc2nc(C(F)F)[nH]c12.

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

The InChIKey is IDFOBSSDILHUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N8O2/c1-10-25-21(32(2)31-10)12-6-7-13(15(8-12)34-3)26-14-9-16(28-22(33)11-4-5-11)27-19-17(14)29-20(30-19)18(23)24/h6-9,11,18H,4-5H2,1-3H3,(H3,26,27,28,29,30,33).

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

N-[2-(difluoromethyl)-7-[4-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-methoxyanilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide has a molecular weight of 468.47 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-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-methoxyanilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide is sourced from PubChem (CID 134455824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).