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

C23H23F2N7O2 — CID 134455471

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

N-[2-(difluoromethyl)-7-[4-(1,4-dimethylpyrazol-3-yl)-2-methoxyanilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide (PubChem CID 134455471) has the molecular formula C23H23F2N7O2 and a molecular weight of 467.48 g/mol. Its IUPAC name is N-[2-(difluoromethyl)-7-[4-(1,4-dimethylpyrazol-3-yl)-2-methoxyanilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: N-[2-(difluoromethyl)-7-[4-(1,4-dimethylpyrazol-3-yl)-2-methoxyanilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
• PubChem CID: 134455471
• Molecular Formula: C23H23F2N7O2
• Molecular Weight: 467.48 g/mol
• Exact Mass: 467.19
• IUPAC Name: N-[2-(difluoromethyl)-7-[4-(1,4-dimethylpyrazol-3-yl)-2-methoxyanilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide
• SMILES: COc1cc(-c2nn(C)cc2C)ccc1Nc1cc(NC(=O)C2CC2)nc2nc(C(F)F)[nH]c12
• InChI: InChI=1S/C23H23F2N7O2/c1-11-10-32(2)31-18(11)13-6-7-14(16(8-13)34-3)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: PFFRZFNCWAZVCR-UHFFFAOYSA-N
• XLogP: 4.71
• TPSA: 109.75 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	467.48
LogP ≤ 5	4.71
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[2-(difluoromethyl)-7-[4-(1,4-dimethylpyrazol-3-yl)-2-methoxyanilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide (CID 134455471) is N-[2-(difluoromethyl)-7-[4-(1,4-dimethylpyrazol-3-yl)-2-methoxyanilino]-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-methoxyanilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide?

The canonical SMILES for N-[2-(difluoromethyl)-7-[4-(1,4-dimethylpyrazol-3-yl)-2-methoxyanilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide is COc1cc(-c2nn(C)cc2C)ccc1Nc1cc(NC(=O)C2CC2)nc2nc(C(F)F)[nH]c12.

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

The InChIKey is PFFRZFNCWAZVCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N7O2/c1-11-10-32(2)31-18(11)13-6-7-14(16(8-13)34-3)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-methoxyanilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide?

N-[2-(difluoromethyl)-7-[4-(1,4-dimethylpyrazol-3-yl)-2-methoxyanilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide has a molecular weight of 467.48 g/mol, XLogP of 4.71, 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-(1,4-dimethylpyrazol-3-yl)-2-methoxyanilino]-1H-imidazo[4,5-b]pyridin-5-yl]cyclopropanecarboxamide is sourced from PubChem (CID 134455471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).