2-[4-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]acetamide

C24H21F3N8O — CID 19503553

About 2-[4-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]acetamide

2-[4-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]acetamide (PubChem CID 19503553) has the molecular formula C24H21F3N8O and a molecular weight of 494.48 g/mol. Its IUPAC name is 2-[4-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]acetamide.

Molecular Properties

• Compound Name: 2-[4-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]acetamide
• PubChem CID: 19503553
• Molecular Formula: C24H21F3N8O
• Molecular Weight: 494.48 g/mol
• Exact Mass: 494.18
• IUPAC Name: 2-[4-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]acetamide
• SMILES: Cc1nn(CC(=O)Nc2ccn(Cc3ccc(F)cc3)n2)c2nc(-c3cnn(C)c3)cc(C(F)F)c12
• InChI: InChI=1S/C24H21F3N8O/c1-14-22-18(23(26)27)9-19(16-10-28-33(2)12-16)29-24(22)35(31-14)13-21(36)30-20-7-8-34(32-20)11-15-3-5-17(25)6-4-15/h3-10,12,23H,11,13H2,1-2H3,(H,30,32,36)
• InChIKey: INJHGHCEQGLHME-UHFFFAOYSA-N
• XLogP: 4.10
• TPSA: 95.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	494.48
LogP ≤ 5	4.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]acetamide?

The IUPAC name of 2-[4-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]acetamide (CID 19503553) is 2-[4-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]acetamide.

What is the SMILES notation for 2-[4-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]acetamide?

The canonical SMILES for 2-[4-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]acetamide is Cc1nn(CC(=O)Nc2ccn(Cc3ccc(F)cc3)n2)c2nc(-c3cnn(C)c3)cc(C(F)F)c12.

What is the InChIKey of 2-[4-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]acetamide?

The InChIKey is INJHGHCEQGLHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N8O/c1-14-22-18(23(26)27)9-19(16-10-28-33(2)12-16)29-24(22)35(31-14)13-21(36)30-20-7-8-34(32-20)11-15-3-5-17(25)6-4-15/h3-10,12,23H,11,13H2,1-2H3,(H,30,32,36).

What are the key properties of 2-[4-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]acetamide?

2-[4-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]acetamide has a molecular weight of 494.48 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-1-yl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]acetamide is sourced from PubChem (CID 19503553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).