5-[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

C84H84F3N15O3 — CID 159302315

About 5-[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

5-[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 159302315) has the molecular formula C84H84F3N15O3 and a molecular weight of 1408.69 g/mol. Its IUPAC name is 5-[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: 5-[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: 159302315
• Molecular Formula: C84H84F3N15O3
• Molecular Weight: 1408.69 g/mol
• Exact Mass: 1407.68
• IUPAC Name: 5-[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-c2ccn3ncc(C(=O)NC4CC5CCC(C4)N5C)c3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccn3ncc(C(=O)NC4CC5CCC(C4)N5C)c3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccn3ncc(C(=O)NC4CC5CCC(C4)N5C)c3c2)ccc1F
• InChI: InChI=1S/3C28H28FN5O/c3*1-17-12-19(5-8-25(17)29)27-23(4-3-10-30-27)18-9-11-34-26(13-18)24(16-31-34)28(35)32-20-14-21-6-7-22(15-20)33(21)2/h3*3-5,8-13,16,20-22H,6-7,14-15H2,1-2H3,(H,32,35)
• InChIKey: LBMJERPYFPJEOC-UHFFFAOYSA-N
• XLogP: 14.60
• TPSA: 187.59 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 12
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1408.69
LogP ≤ 5	14.60
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 5-[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 5-[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 159302315) is 5-[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 5-[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 5-[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-c2ccn3ncc(C(=O)NC4CC5CCC(C4)N5C)c3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccn3ncc(C(=O)NC4CC5CCC(C4)N5C)c3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccn3ncc(C(=O)NC4CC5CCC(C4)N5C)c3c2)ccc1F.

What is the InChIKey of 5-[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 LBMJERPYFPJEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/3C28H28FN5O/c3*1-17-12-19(5-8-25(17)29)27-23(4-3-10-30-27)18-9-11-34-26(13-18)24(16-31-34)28(35)32-20-14-21-6-7-22(15-20)33(21)2/h3*3-5,8-13,16,20-22H,6-7,14-15H2,1-2H3,(H,32,35).

What are the key properties of 5-[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?

5-[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 1408.69 g/mol, XLogP of 14.60, 12 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[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 159302315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).