5-[2-(4-fluoro-3-methylphenyl)-3-methylphenyl]-N-[(4-methylcyclohept-4-en-1-yl)methyl]pyrazolo[1,5-a]pyridine-3-carboxamide

C31H32FN3O — CID 123760333

About 5-[2-(4-fluoro-3-methylphenyl)-3-methylphenyl]-N-[(4-methylcyclohept-4-en-1-yl)methyl]pyrazolo[1,5-a]pyridine-3-carboxamide

5-[2-(4-fluoro-3-methylphenyl)-3-methylphenyl]-N-[(4-methylcyclohept-4-en-1-yl)methyl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 123760333) has the molecular formula C31H32FN3O and a molecular weight of 481.62 g/mol. Its IUPAC name is 5-[2-(4-fluoro-3-methylphenyl)-3-methylphenyl]-N-[(4-methylcyclohept-4-en-1-yl)methyl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[2-(4-fluoro-3-methylphenyl)-3-methylphenyl]-N-[(4-methylcyclohept-4-en-1-yl)methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
• PubChem CID: 123760333
• Molecular Formula: C31H32FN3O
• Molecular Weight: 481.62 g/mol
• Exact Mass: 481.25
• IUPAC Name: 5-[2-(4-fluoro-3-methylphenyl)-3-methylphenyl]-N-[(4-methylcyclohept-4-en-1-yl)methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
• SMILES: CC1=CCCC(CNC(=O)c2cnn3ccc(-c4cccc(C)c4-c4ccc(F)c(C)c4)cc23)CC1
• InChI: InChI=1S/C31H32FN3O/c1-20-6-4-8-23(11-10-20)18-33-31(36)27-19-34-35-15-14-24(17-29(27)35)26-9-5-7-21(2)30(26)25-12-13-28(32)22(3)16-25/h5-7,9,12-17,19,23H,4,8,10-11,18H2,1-3H3,(H,33,36)
• InChIKey: DUQTYQDNBBAQOV-UHFFFAOYSA-N
• XLogP: 7.29
• TPSA: 46.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	481.62
LogP ≤ 5	7.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-fluoro-3-methylphenyl)-3-methylphenyl]-N-[(4-methylcyclohept-4-en-1-yl)methyl]pyrazolo[1,5-a]pyridine-3-carboxamide?

The IUPAC name of 5-[2-(4-fluoro-3-methylphenyl)-3-methylphenyl]-N-[(4-methylcyclohept-4-en-1-yl)methyl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 123760333) is 5-[2-(4-fluoro-3-methylphenyl)-3-methylphenyl]-N-[(4-methylcyclohept-4-en-1-yl)methyl]pyrazolo[1,5-a]pyridine-3-carboxamide.

What is the SMILES notation for 5-[2-(4-fluoro-3-methylphenyl)-3-methylphenyl]-N-[(4-methylcyclohept-4-en-1-yl)methyl]pyrazolo[1,5-a]pyridine-3-carboxamide?

The canonical SMILES for 5-[2-(4-fluoro-3-methylphenyl)-3-methylphenyl]-N-[(4-methylcyclohept-4-en-1-yl)methyl]pyrazolo[1,5-a]pyridine-3-carboxamide is CC1=CCCC(CNC(=O)c2cnn3ccc(-c4cccc(C)c4-c4ccc(F)c(C)c4)cc23)CC1.

What is the InChIKey of 5-[2-(4-fluoro-3-methylphenyl)-3-methylphenyl]-N-[(4-methylcyclohept-4-en-1-yl)methyl]pyrazolo[1,5-a]pyridine-3-carboxamide?

The InChIKey is DUQTYQDNBBAQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32FN3O/c1-20-6-4-8-23(11-10-20)18-33-31(36)27-19-34-35-15-14-24(17-29(27)35)26-9-5-7-21(2)30(26)25-12-13-28(32)22(3)16-25/h5-7,9,12-17,19,23H,4,8,10-11,18H2,1-3H3,(H,33,36).

What are the key properties of 5-[2-(4-fluoro-3-methylphenyl)-3-methylphenyl]-N-[(4-methylcyclohept-4-en-1-yl)methyl]pyrazolo[1,5-a]pyridine-3-carboxamide?

5-[2-(4-fluoro-3-methylphenyl)-3-methylphenyl]-N-[(4-methylcyclohept-4-en-1-yl)methyl]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 481.62 g/mol, XLogP of 7.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(4-fluoro-3-methylphenyl)-3-methylphenyl]-N-[(4-methylcyclohept-4-en-1-yl)methyl]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 123760333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).