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

C30H23F2N5O4 — CID 58158554

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

N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-1-(4-fluoro-2-methylphenyl)-2-oxopyridine-3-carboxamide (PubChem CID 58158554) has the molecular formula C30H23F2N5O4 and a molecular weight of 555.54 g/mol. Its IUPAC name is N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-1-(4-fluoro-2-methylphenyl)-2-oxopyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-1-(4-fluoro-2-methylphenyl)-2-oxopyridine-3-carboxamide
• PubChem CID: 58158554
• Molecular Formula: C30H23F2N5O4
• Molecular Weight: 555.54 g/mol
• Exact Mass: 555.17
• IUPAC Name: N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-1-(4-fluoro-2-methylphenyl)-2-oxopyridine-3-carboxamide
• SMILES: Cc1cc(F)ccc1-n1cccc(C(=O)Nc2ccc(Oc3ccc4nc(NC(=O)C5CC5)cn4c3)c(F)c2)c1=O
• InChI: InChI=1S/C30H23F2N5O4/c1-17-13-19(31)6-9-24(17)37-12-2-3-22(30(37)40)29(39)33-20-7-10-25(23(32)14-20)41-21-8-11-27-34-26(16-36(27)15-21)35-28(38)18-4-5-18/h2-3,6-16,18H,4-5H2,1H3,(H,33,39)(H,35,38)
• InChIKey: LTTSUSKWMTYFDG-UHFFFAOYSA-N
• XLogP: 5.46
• 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	555.54
LogP ≤ 5	5.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-1-(4-fluoro-2-methylphenyl)-2-oxopyridine-3-carboxamide (CID 58158554) is N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-1-(4-fluoro-2-methylphenyl)-2-oxopyridine-3-carboxamide.

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

The canonical SMILES for N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-1-(4-fluoro-2-methylphenyl)-2-oxopyridine-3-carboxamide is Cc1cc(F)ccc1-n1cccc(C(=O)Nc2ccc(Oc3ccc4nc(NC(=O)C5CC5)cn4c3)c(F)c2)c1=O.

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

The InChIKey is LTTSUSKWMTYFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23F2N5O4/c1-17-13-19(31)6-9-24(17)37-12-2-3-22(30(37)40)29(39)33-20-7-10-25(23(32)14-20)41-21-8-11-27-34-26(16-36(27)15-21)35-28(38)18-4-5-18/h2-3,6-16,18H,4-5H2,1H3,(H,33,39)(H,35,38).

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

N-[4-[2-(cyclopropanecarbonylamino)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-1-(4-fluoro-2-methylphenyl)-2-oxopyridine-3-carboxamide has a molecular weight of 555.54 g/mol, XLogP of 5.46, 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)imidazo[1,2-a]pyridin-6-yl]oxy-3-fluorophenyl]-1-(4-fluoro-2-methylphenyl)-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 58158554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).