3-(2,6-difluorophenyl)-2-methyl-N-[2-(4-methylphenyl)propan-2-yl]-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide

C28H29F2N3O — CID 162773859

About 3-(2,6-difluorophenyl)-2-methyl-N-[2-(4-methylphenyl)propan-2-yl]-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide

3-(2,6-difluorophenyl)-2-methyl-N-[2-(4-methylphenyl)propan-2-yl]-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide (PubChem CID 162773859) has the molecular formula C28H29F2N3O and a molecular weight of 461.56 g/mol. Its IUPAC name is 3-(2,6-difluorophenyl)-2-methyl-N-[2-(4-methylphenyl)propan-2-yl]-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: 3-(2,6-difluorophenyl)-2-methyl-N-[2-(4-methylphenyl)propan-2-yl]-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide
• PubChem CID: 162773859
• Molecular Formula: C28H29F2N3O
• Molecular Weight: 461.56 g/mol
• Exact Mass: 461.23
• IUPAC Name: 3-(2,6-difluorophenyl)-2-methyl-N-[2-(4-methylphenyl)propan-2-yl]-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide
• SMILES: Cc1ccc(C(C)(C)NC(=O)c2ccc3c(-c4c(F)cccc4F)c(C)nn3c2C(C)C)cc1
• InChI: InChI=1S/C28H29F2N3O/c1-16(2)26-20(27(34)31-28(5,6)19-12-10-17(3)11-13-19)14-15-23-24(18(4)32-33(23)26)25-21(29)8-7-9-22(25)30/h7-16H,1-6H3,(H,31,34)
• InChIKey: VKXQMEWCCCRYSJ-UHFFFAOYSA-N
• XLogP: 6.68
• TPSA: 46.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	461.56
LogP ≤ 5	6.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-difluorophenyl)-2-methyl-N-[2-(4-methylphenyl)propan-2-yl]-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide?

The IUPAC name of 3-(2,6-difluorophenyl)-2-methyl-N-[2-(4-methylphenyl)propan-2-yl]-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide (CID 162773859) is 3-(2,6-difluorophenyl)-2-methyl-N-[2-(4-methylphenyl)propan-2-yl]-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide.

What is the SMILES notation for 3-(2,6-difluorophenyl)-2-methyl-N-[2-(4-methylphenyl)propan-2-yl]-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide?

The canonical SMILES for 3-(2,6-difluorophenyl)-2-methyl-N-[2-(4-methylphenyl)propan-2-yl]-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide is Cc1ccc(C(C)(C)NC(=O)c2ccc3c(-c4c(F)cccc4F)c(C)nn3c2C(C)C)cc1.

What is the InChIKey of 3-(2,6-difluorophenyl)-2-methyl-N-[2-(4-methylphenyl)propan-2-yl]-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide?

The InChIKey is VKXQMEWCCCRYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29F2N3O/c1-16(2)26-20(27(34)31-28(5,6)19-12-10-17(3)11-13-19)14-15-23-24(18(4)32-33(23)26)25-21(29)8-7-9-22(25)30/h7-16H,1-6H3,(H,31,34).

What are the key properties of 3-(2,6-difluorophenyl)-2-methyl-N-[2-(4-methylphenyl)propan-2-yl]-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide?

3-(2,6-difluorophenyl)-2-methyl-N-[2-(4-methylphenyl)propan-2-yl]-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide has a molecular weight of 461.56 g/mol, XLogP of 6.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,6-difluorophenyl)-2-methyl-N-[2-(4-methylphenyl)propan-2-yl]-7-propan-2-ylpyrazolo[1,5-a]pyridine-6-carboxamide is sourced from PubChem (CID 162773859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).