N-[2-fluoro-5-[(1-hydroxy-3-methoxy-1-phenylpropan-2-yl)carbamoyl]phenyl]-7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide

C29H27FN6O4 — CID 78048641

About N-[2-fluoro-5-[(1-hydroxy-3-methoxy-1-phenylpropan-2-yl)carbamoyl]phenyl]-7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide

N-[2-fluoro-5-[(1-hydroxy-3-methoxy-1-phenylpropan-2-yl)carbamoyl]phenyl]-7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 78048641) has the molecular formula C29H27FN6O4 and a molecular weight of 542.57 g/mol. Its IUPAC name is N-[2-fluoro-5-[(1-hydroxy-3-methoxy-1-phenylpropan-2-yl)carbamoyl]phenyl]-7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-fluoro-5-[(1-hydroxy-3-methoxy-1-phenylpropan-2-yl)carbamoyl]phenyl]-7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 78048641
• Molecular Formula: C29H27FN6O4
• Molecular Weight: 542.57 g/mol
• Exact Mass: 542.21
• IUPAC Name: N-[2-fluoro-5-[(1-hydroxy-3-methoxy-1-phenylpropan-2-yl)carbamoyl]phenyl]-7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide
• SMILES: COCC(NC(=O)c1ccc(F)c(NC(=O)c2cnc3cc(-c4ccnn4C)ccn23)c1)C(O)c1ccccc1
• InChI: InChI=1S/C29H27FN6O4/c1-35-24(10-12-32-35)19-11-13-36-25(16-31-26(36)15-19)29(39)33-22-14-20(8-9-21(22)30)28(38)34-23(17-40-2)27(37)18-6-4-3-5-7-18/h3-16,23,27,37H,17H2,1-2H3,(H,33,39)(H,34,38)
• InChIKey: VTFDVMJUSAMUEI-UHFFFAOYSA-N
• XLogP: 3.60
• TPSA: 122.78 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	542.57
LogP ≤ 5	3.60
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-[(1-hydroxy-3-methoxy-1-phenylpropan-2-yl)carbamoyl]phenyl]-7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide?

The IUPAC name of N-[2-fluoro-5-[(1-hydroxy-3-methoxy-1-phenylpropan-2-yl)carbamoyl]phenyl]-7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide (CID 78048641) is N-[2-fluoro-5-[(1-hydroxy-3-methoxy-1-phenylpropan-2-yl)carbamoyl]phenyl]-7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide.

What is the SMILES notation for N-[2-fluoro-5-[(1-hydroxy-3-methoxy-1-phenylpropan-2-yl)carbamoyl]phenyl]-7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide?

The canonical SMILES for N-[2-fluoro-5-[(1-hydroxy-3-methoxy-1-phenylpropan-2-yl)carbamoyl]phenyl]-7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide is COCC(NC(=O)c1ccc(F)c(NC(=O)c2cnc3cc(-c4ccnn4C)ccn23)c1)C(O)c1ccccc1.

What is the InChIKey of N-[2-fluoro-5-[(1-hydroxy-3-methoxy-1-phenylpropan-2-yl)carbamoyl]phenyl]-7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide?

The InChIKey is VTFDVMJUSAMUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27FN6O4/c1-35-24(10-12-32-35)19-11-13-36-25(16-31-26(36)15-19)29(39)33-22-14-20(8-9-21(22)30)28(38)34-23(17-40-2)27(37)18-6-4-3-5-7-18/h3-16,23,27,37H,17H2,1-2H3,(H,33,39)(H,34,38).

What are the key properties of N-[2-fluoro-5-[(1-hydroxy-3-methoxy-1-phenylpropan-2-yl)carbamoyl]phenyl]-7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide?

N-[2-fluoro-5-[(1-hydroxy-3-methoxy-1-phenylpropan-2-yl)carbamoyl]phenyl]-7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 542.57 g/mol, XLogP of 3.60, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-fluoro-5-[(1-hydroxy-3-methoxy-1-phenylpropan-2-yl)carbamoyl]phenyl]-7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 78048641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).