3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-N-[2-(methylamino)ethyl]imidazo[1,2-a]pyridine-6-carboxamide

C25H26FN7O2 — CID 134328512

About 3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-N-[2-(methylamino)ethyl]imidazo[1,2-a]pyridine-6-carboxamide

3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-N-[2-(methylamino)ethyl]imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 134328512) has the molecular formula C25H26FN7O2 and a molecular weight of 475.53 g/mol. Its IUPAC name is 3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-N-[2-(methylamino)ethyl]imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: 3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-N-[2-(methylamino)ethyl]imidazo[1,2-a]pyridine-6-carboxamide
• PubChem CID: 134328512
• Molecular Formula: C25H26FN7O2
• Molecular Weight: 475.53 g/mol
• Exact Mass: 475.21
• IUPAC Name: 3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-N-[2-(methylamino)ethyl]imidazo[1,2-a]pyridine-6-carboxamide
• SMILES: CNCCNC(=O)c1ccc2ncc(-n3cc(-c4cc(C(=O)NC5CC5)c(F)cc4C)cn3)n2c1
• InChI: InChI=1S/C25H26FN7O2/c1-15-9-21(26)20(25(35)31-18-4-5-18)10-19(15)17-11-30-33(14-17)23-12-29-22-6-3-16(13-32(22)23)24(34)28-8-7-27-2/h3,6,9-14,18,27H,4-5,7-8H2,1-2H3,(H,28,34)(H,31,35)
• InChIKey: PPDQEOHUUNGJHA-UHFFFAOYSA-N
• XLogP: 2.48
• TPSA: 105.35 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.53
LogP ≤ 5	2.48
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-N-[2-(methylamino)ethyl]imidazo[1,2-a]pyridine-6-carboxamide?

The IUPAC name of 3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-N-[2-(methylamino)ethyl]imidazo[1,2-a]pyridine-6-carboxamide (CID 134328512) is 3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-N-[2-(methylamino)ethyl]imidazo[1,2-a]pyridine-6-carboxamide.

What is the SMILES notation for 3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-N-[2-(methylamino)ethyl]imidazo[1,2-a]pyridine-6-carboxamide?

The canonical SMILES for 3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-N-[2-(methylamino)ethyl]imidazo[1,2-a]pyridine-6-carboxamide is CNCCNC(=O)c1ccc2ncc(-n3cc(-c4cc(C(=O)NC5CC5)c(F)cc4C)cn3)n2c1.

What is the InChIKey of 3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-N-[2-(methylamino)ethyl]imidazo[1,2-a]pyridine-6-carboxamide?

The InChIKey is PPDQEOHUUNGJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN7O2/c1-15-9-21(26)20(25(35)31-18-4-5-18)10-19(15)17-11-30-33(14-17)23-12-29-22-6-3-16(13-32(22)23)24(34)28-8-7-27-2/h3,6,9-14,18,27H,4-5,7-8H2,1-2H3,(H,28,34)(H,31,35).

What are the key properties of 3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-N-[2-(methylamino)ethyl]imidazo[1,2-a]pyridine-6-carboxamide?

3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-N-[2-(methylamino)ethyl]imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 475.53 g/mol, XLogP of 2.48, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[5-(cyclopropylcarbamoyl)-4-fluoro-2-methylphenyl]pyrazol-1-yl]-N-[2-(methylamino)ethyl]imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 134328512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).