2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]-N-[1-(4-methylphenyl)propyl]acetamide

C26H26F2N4O — CID 19501694

About 2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]-N-[1-(4-methylphenyl)propyl]acetamide

2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]-N-[1-(4-methylphenyl)propyl]acetamide (PubChem CID 19501694) has the molecular formula C26H26F2N4O and a molecular weight of 448.52 g/mol. Its IUPAC name is 2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]-N-[1-(4-methylphenyl)propyl]acetamide.

Molecular Properties

• Compound Name: 2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]-N-[1-(4-methylphenyl)propyl]acetamide
• PubChem CID: 19501694
• Molecular Formula: C26H26F2N4O
• Molecular Weight: 448.52 g/mol
• Exact Mass: 448.21
• IUPAC Name: 2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]-N-[1-(4-methylphenyl)propyl]acetamide
• SMILES: CCC(NC(=O)Cn1nc(C)c2c(C(F)F)cc(-c3ccccc3)nc21)c1ccc(C)cc1
• InChI: InChI=1S/C26H26F2N4O/c1-4-21(19-12-10-16(2)11-13-19)29-23(33)15-32-26-24(17(3)31-32)20(25(27)28)14-22(30-26)18-8-6-5-7-9-18/h5-14,21,25H,4,15H2,1-3H3,(H,29,33)
• InChIKey: WJBSYPBNJNCRON-UHFFFAOYSA-N
• XLogP: 5.92
• TPSA: 59.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	448.52
LogP ≤ 5	5.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]-N-[1-(4-methylphenyl)propyl]acetamide?

The IUPAC name of 2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]-N-[1-(4-methylphenyl)propyl]acetamide (CID 19501694) is 2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]-N-[1-(4-methylphenyl)propyl]acetamide.

What is the SMILES notation for 2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]-N-[1-(4-methylphenyl)propyl]acetamide?

The canonical SMILES for 2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]-N-[1-(4-methylphenyl)propyl]acetamide is CCC(NC(=O)Cn1nc(C)c2c(C(F)F)cc(-c3ccccc3)nc21)c1ccc(C)cc1.

What is the InChIKey of 2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]-N-[1-(4-methylphenyl)propyl]acetamide?

The InChIKey is WJBSYPBNJNCRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F2N4O/c1-4-21(19-12-10-16(2)11-13-19)29-23(33)15-32-26-24(17(3)31-32)20(25(27)28)14-22(30-26)18-8-6-5-7-9-18/h5-14,21,25H,4,15H2,1-3H3,(H,29,33).

What are the key properties of 2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]-N-[1-(4-methylphenyl)propyl]acetamide?

2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]-N-[1-(4-methylphenyl)propyl]acetamide has a molecular weight of 448.52 g/mol, XLogP of 5.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]-N-[1-(4-methylphenyl)propyl]acetamide is sourced from PubChem (CID 19501694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).