N-[4-[2-(cyclopropanecarbonylamino)-3-fluoroimidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide

C29H20F3N5O4 — CID 143889995

About N-[4-[2-(cyclopropanecarbonylamino)-3-fluoroimidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide

N-[4-[2-(cyclopropanecarbonylamino)-3-fluoroimidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide (PubChem CID 143889995) has the molecular formula C29H20F3N5O4 and a molecular weight of 559.50 g/mol. Its IUPAC name is N-[4-[2-(cyclopropanecarbonylamino)-3-fluoroimidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-[2-(cyclopropanecarbonylamino)-3-fluoroimidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
• PubChem CID: 143889995
• Molecular Formula: C29H20F3N5O4
• Molecular Weight: 559.50 g/mol
• Exact Mass: 559.15
• IUPAC Name: N-[4-[2-(cyclopropanecarbonylamino)-3-fluoroimidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
• SMILES: O=C(Nc1ccc(Oc2ccc3nc(NC(=O)C4CC4)c(F)n3c2)c(F)c1)c1cccn(-c2ccc(F)cc2)c1=O
• InChI: InChI=1S/C29H20F3N5O4/c30-17-5-8-19(9-6-17)36-13-1-2-21(29(36)40)28(39)33-18-7-11-23(22(31)14-18)41-20-10-12-24-34-26(25(32)37(24)15-20)35-27(38)16-3-4-16/h1-2,5-16H,3-4H2,(H,33,39)(H,35,38)
• InChIKey: YIFUHRWJCRGFMY-UHFFFAOYSA-N
• XLogP: 5.30
• TPSA: 106.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	559.50
LogP ≤ 5	5.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[4-[2-(cyclopropanecarbonylamino)-3-fluoroimidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide (CID 143889995) is N-[4-[2-(cyclopropanecarbonylamino)-3-fluoroimidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide.

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

The canonical SMILES for N-[4-[2-(cyclopropanecarbonylamino)-3-fluoroimidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide is O=C(Nc1ccc(Oc2ccc3nc(NC(=O)C4CC4)c(F)n3c2)c(F)c1)c1cccn(-c2ccc(F)cc2)c1=O.

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

The InChIKey is YIFUHRWJCRGFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20F3N5O4/c30-17-5-8-19(9-6-17)36-13-1-2-21(29(36)40)28(39)33-18-7-11-23(22(31)14-18)41-20-10-12-24-34-26(25(32)37(24)15-20)35-27(38)16-3-4-16/h1-2,5-16H,3-4H2,(H,33,39)(H,35,38).

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

N-[4-[2-(cyclopropanecarbonylamino)-3-fluoroimidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide has a molecular weight of 559.50 g/mol, XLogP of 5.30, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-(cyclopropanecarbonylamino)-3-fluoroimidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 143889995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).