6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[3-(2-methylidenepyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-3-carboxamide

C28H28FN5O — CID 126751963

About 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[3-(2-methylidenepyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-3-carboxamide

6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[3-(2-methylidenepyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 126751963) has the molecular formula C28H28FN5O and a molecular weight of 469.56 g/mol. Its IUPAC name is 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[3-(2-methylidenepyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[3-(2-methylidenepyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 126751963
• Molecular Formula: C28H28FN5O
• Molecular Weight: 469.56 g/mol
• Exact Mass: 469.23
• IUPAC Name: 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[3-(2-methylidenepyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-3-carboxamide
• SMILES: C=C1CCCN1CCCNC(=O)c1cnc2ccc(-c3cccnc3-c3ccc(F)c(C)c3)cn12
• InChI: InChI=1S/C28H28FN5O/c1-19-16-21(8-10-24(19)29)27-23(7-3-12-30-27)22-9-11-26-32-17-25(34(26)18-22)28(35)31-13-5-15-33-14-4-6-20(33)2/h3,7-12,16-18H,2,4-6,13-15H2,1H3,(H,31,35)
• InChIKey: USZPPUFMQWYHEK-UHFFFAOYSA-N
• XLogP: 5.24
• TPSA: 62.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	469.56
LogP ≤ 5	5.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[3-(2-methylidenepyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-3-carboxamide?

The IUPAC name of 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[3-(2-methylidenepyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 126751963) is 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[3-(2-methylidenepyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-3-carboxamide.

What is the SMILES notation for 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[3-(2-methylidenepyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-3-carboxamide?

The canonical SMILES for 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[3-(2-methylidenepyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-3-carboxamide is C=C1CCCN1CCCNC(=O)c1cnc2ccc(-c3cccnc3-c3ccc(F)c(C)c3)cn12.

What is the InChIKey of 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[3-(2-methylidenepyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-3-carboxamide?

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

What are the key properties of 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[3-(2-methylidenepyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-3-carboxamide?

6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[3-(2-methylidenepyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 469.56 g/mol, XLogP of 5.24, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[3-(2-methylidenepyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 126751963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).