7-(6-butoxy-3-pyridinyl)-N-[2-fluoro-5-[2-[(2-methylpropan-2-yl)oxy]ethylcarbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide

C30H34FN5O4 — CID 71291182

About 7-(6-butoxy-3-pyridinyl)-N-[2-fluoro-5-[2-[(2-methylpropan-2-yl)oxy]ethylcarbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide

7-(6-butoxy-3-pyridinyl)-N-[2-fluoro-5-[2-[(2-methylpropan-2-yl)oxy]ethylcarbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 71291182) has the molecular formula C30H34FN5O4 and a molecular weight of 547.63 g/mol. Its IUPAC name is 7-(6-butoxy-3-pyridinyl)-N-[2-fluoro-5-[2-[(2-methylpropan-2-yl)oxy]ethylcarbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 7-(6-butoxy-3-pyridinyl)-N-[2-fluoro-5-[2-[(2-methylpropan-2-yl)oxy]ethylcarbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 71291182
• Molecular Formula: C30H34FN5O4
• Molecular Weight: 547.63 g/mol
• Exact Mass: 547.26
• IUPAC Name: 7-(6-butoxy-3-pyridinyl)-N-[2-fluoro-5-[2-[(2-methylpropan-2-yl)oxy]ethylcarbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
• SMILES: CCCCOc1ccc(-c2ccn3c(C(=O)Nc4cc(C(=O)NCCOC(C)(C)C)ccc4F)cnc3c2)cn1
• InChI: InChI=1S/C30H34FN5O4/c1-5-6-14-39-27-10-8-22(18-34-27)20-11-13-36-25(19-33-26(36)17-20)29(38)35-24-16-21(7-9-23(24)31)28(37)32-12-15-40-30(2,3)4/h7-11,13,16-19H,5-6,12,14-15H2,1-4H3,(H,32,37)(H,35,38)
• InChIKey: LTKCRLQXBKJPLE-UHFFFAOYSA-N
• XLogP: 5.51
• TPSA: 106.85 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	547.63
LogP ≤ 5	5.51
H-Bond Donors ≤ 5	2
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 7-(6-butoxy-3-pyridinyl)-N-[2-fluoro-5-[2-[(2-methylpropan-2-yl)oxy]ethylcarbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide?

The IUPAC name of 7-(6-butoxy-3-pyridinyl)-N-[2-fluoro-5-[2-[(2-methylpropan-2-yl)oxy]ethylcarbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 71291182) is 7-(6-butoxy-3-pyridinyl)-N-[2-fluoro-5-[2-[(2-methylpropan-2-yl)oxy]ethylcarbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide.

What is the SMILES notation for 7-(6-butoxy-3-pyridinyl)-N-[2-fluoro-5-[2-[(2-methylpropan-2-yl)oxy]ethylcarbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide?

The canonical SMILES for 7-(6-butoxy-3-pyridinyl)-N-[2-fluoro-5-[2-[(2-methylpropan-2-yl)oxy]ethylcarbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide is CCCCOc1ccc(-c2ccn3c(C(=O)Nc4cc(C(=O)NCCOC(C)(C)C)ccc4F)cnc3c2)cn1.

What is the InChIKey of 7-(6-butoxy-3-pyridinyl)-N-[2-fluoro-5-[2-[(2-methylpropan-2-yl)oxy]ethylcarbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide?

The InChIKey is LTKCRLQXBKJPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34FN5O4/c1-5-6-14-39-27-10-8-22(18-34-27)20-11-13-36-25(19-33-26(36)17-20)29(38)35-24-16-21(7-9-23(24)31)28(37)32-12-15-40-30(2,3)4/h7-11,13,16-19H,5-6,12,14-15H2,1-4H3,(H,32,37)(H,35,38).

What are the key properties of 7-(6-butoxy-3-pyridinyl)-N-[2-fluoro-5-[2-[(2-methylpropan-2-yl)oxy]ethylcarbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide?

7-(6-butoxy-3-pyridinyl)-N-[2-fluoro-5-[2-[(2-methylpropan-2-yl)oxy]ethylcarbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 547.63 g/mol, XLogP of 5.51, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(6-butoxy-3-pyridinyl)-N-[2-fluoro-5-[2-[(2-methylpropan-2-yl)oxy]ethylcarbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 71291182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).