2-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrazolo[1,5-a]pyridine-3-carboxamide

C28H28FN5O — CID 140638396

About 2-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrazolo[1,5-a]pyridine-3-carboxamide

2-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 140638396) has the molecular formula C28H28FN5O and a molecular weight of 469.56 g/mol. Its IUPAC name is 2-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
• PubChem CID: 140638396
• Molecular Formula: C28H28FN5O
• Molecular Weight: 469.56 g/mol
• Exact Mass: 469.23
• IUPAC Name: 2-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
• SMILES: Cc1cc(-c2ncccc2-c2nn3ccccc3c2C(=O)NC2CC3CCC(C2)N3C)ccc1F
• InChI: InChI=1S/C28H28FN5O/c1-17-14-18(8-11-23(17)29)26-22(6-5-12-30-26)27-25(24-7-3-4-13-34(24)32-27)28(35)31-19-15-20-9-10-21(16-19)33(20)2/h3-8,11-14,19-21H,9-10,15-16H2,1-2H3,(H,31,35)
• InChIKey: YTXAFTDBRQSAKO-UHFFFAOYSA-N
• XLogP: 4.87
• TPSA: 62.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.56
LogP ≤ 5	4.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrazolo[1,5-a]pyridine-3-carboxamide?

The IUPAC name of 2-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrazolo[1,5-a]pyridine-3-carboxamide (CID 140638396) is 2-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrazolo[1,5-a]pyridine-3-carboxamide.

What is the SMILES notation for 2-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrazolo[1,5-a]pyridine-3-carboxamide?

The canonical SMILES for 2-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrazolo[1,5-a]pyridine-3-carboxamide is Cc1cc(-c2ncccc2-c2nn3ccccc3c2C(=O)NC2CC3CCC(C2)N3C)ccc1F.

What is the InChIKey of 2-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrazolo[1,5-a]pyridine-3-carboxamide?

The InChIKey is YTXAFTDBRQSAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28FN5O/c1-17-14-18(8-11-23(17)29)26-22(6-5-12-30-26)27-25(24-7-3-4-13-34(24)32-27)28(35)31-19-15-20-9-10-21(16-19)33(20)2/h3-8,11-14,19-21H,9-10,15-16H2,1-2H3,(H,31,35).

What are the key properties of 2-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrazolo[1,5-a]pyridine-3-carboxamide?

2-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 469.56 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 140638396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).