6-amino-N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-2-oxo-1-phenylpyridine-3-carboxamide

C29H23FN6O4 — CID 143889998

About 6-amino-N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-2-oxo-1-phenylpyridine-3-carboxamide

6-amino-N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-2-oxo-1-phenylpyridine-3-carboxamide (PubChem CID 143889998) has the molecular formula C29H23FN6O4 and a molecular weight of 538.54 g/mol. Its IUPAC name is 6-amino-N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-2-oxo-1-phenylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-amino-N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-2-oxo-1-phenylpyridine-3-carboxamide
• PubChem CID: 143889998
• Molecular Formula: C29H23FN6O4
• Molecular Weight: 538.54 g/mol
• Exact Mass: 538.18
• IUPAC Name: 6-amino-N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-2-oxo-1-phenylpyridine-3-carboxamide
• SMILES: Nc1ccc(C(=O)Nc2ccc(Oc3ccc4nc(NC(=O)C5CC5)cn4c3)c(F)c2)c(=O)n1-c1ccccc1
• InChI: InChI=1S/C29H23FN6O4/c30-22-14-18(32-28(38)21-10-12-24(31)36(29(21)39)19-4-2-1-3-5-19)8-11-23(22)40-20-9-13-26-33-25(16-35(26)15-20)34-27(37)17-6-7-17/h1-5,8-17H,6-7,31H2,(H,32,38)(H,34,37)
• InChIKey: ZQWGZOBMYYFJAG-UHFFFAOYSA-N
• XLogP: 4.60
• TPSA: 132.75 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	538.54
LogP ≤ 5	4.60
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-2-oxo-1-phenylpyridine-3-carboxamide?

The IUPAC name of 6-amino-N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-2-oxo-1-phenylpyridine-3-carboxamide (CID 143889998) is 6-amino-N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-2-oxo-1-phenylpyridine-3-carboxamide.

What is the SMILES notation for 6-amino-N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-2-oxo-1-phenylpyridine-3-carboxamide?

The canonical SMILES for 6-amino-N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-2-oxo-1-phenylpyridine-3-carboxamide is Nc1ccc(C(=O)Nc2ccc(Oc3ccc4nc(NC(=O)C5CC5)cn4c3)c(F)c2)c(=O)n1-c1ccccc1.

What is the InChIKey of 6-amino-N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-2-oxo-1-phenylpyridine-3-carboxamide?

The InChIKey is ZQWGZOBMYYFJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23FN6O4/c30-22-14-18(32-28(38)21-10-12-24(31)36(29(21)39)19-4-2-1-3-5-19)8-11-23(22)40-20-9-13-26-33-25(16-35(26)15-20)34-27(37)17-6-7-17/h1-5,8-17H,6-7,31H2,(H,32,38)(H,34,37).

What are the key properties of 6-amino-N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-2-oxo-1-phenylpyridine-3-carboxamide?

6-amino-N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-2-oxo-1-phenylpyridine-3-carboxamide has a molecular weight of 538.54 g/mol, XLogP of 4.60, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-2-oxo-1-phenylpyridine-3-carboxamide is sourced from PubChem (CID 143889998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).