N-[3-fluoro-4-[2-(3-methylsulfanylpropanoylamino)imidazo[1,2-a]pyridin-6-yl]oxyphenyl]-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxamide

C30H25F2N5O4S — CID 46241921

About N-[3-fluoro-4-[2-(3-methylsulfanylpropanoylamino)imidazo[1,2-a]pyridin-6-yl]oxyphenyl]-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxamide

N-[3-fluoro-4-[2-(3-methylsulfanylpropanoylamino)imidazo[1,2-a]pyridin-6-yl]oxyphenyl]-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxamide (PubChem CID 46241921) has the molecular formula C30H25F2N5O4S and a molecular weight of 589.62 g/mol. Its IUPAC name is N-[3-fluoro-4-[2-(3-methylsulfanylpropanoylamino)imidazo[1,2-a]pyridin-6-yl]oxyphenyl]-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-fluoro-4-[2-(3-methylsulfanylpropanoylamino)imidazo[1,2-a]pyridin-6-yl]oxyphenyl]-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxamide
• PubChem CID: 46241921
• Molecular Formula: C30H25F2N5O4S
• Molecular Weight: 589.62 g/mol
• Exact Mass: 589.16
• IUPAC Name: N-[3-fluoro-4-[2-(3-methylsulfanylpropanoylamino)imidazo[1,2-a]pyridin-6-yl]oxyphenyl]-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxamide
• SMILES: CSCCC(=O)Nc1cn2cc(Oc3ccc(NC(=O)c4ccc(C)n(-c5ccc(F)cc5)c4=O)cc3F)ccc2n1
• InChI: InChI=1S/C30H25F2N5O4S/c1-18-3-10-23(30(40)37(18)21-7-4-19(31)5-8-21)29(39)33-20-6-11-25(24(32)15-20)41-22-9-12-27-34-26(17-36(27)16-22)35-28(38)13-14-42-2/h3-12,15-17H,13-14H2,1-2H3,(H,33,39)(H,35,38)
• InChIKey: HMFHWUUIWSAFHD-UHFFFAOYSA-N
• XLogP: 5.81
• TPSA: 106.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	589.62
LogP ≤ 5	5.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[3-fluoro-4-[2-(3-methylsulfanylpropanoylamino)imidazo[1,2-a]pyridin-6-yl]oxyphenyl]-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxamide (CID 46241921) is N-[3-fluoro-4-[2-(3-methylsulfanylpropanoylamino)imidazo[1,2-a]pyridin-6-yl]oxyphenyl]-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxamide.

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

The canonical SMILES for N-[3-fluoro-4-[2-(3-methylsulfanylpropanoylamino)imidazo[1,2-a]pyridin-6-yl]oxyphenyl]-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxamide is CSCCC(=O)Nc1cn2cc(Oc3ccc(NC(=O)c4ccc(C)n(-c5ccc(F)cc5)c4=O)cc3F)ccc2n1.

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

The InChIKey is HMFHWUUIWSAFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25F2N5O4S/c1-18-3-10-23(30(40)37(18)21-7-4-19(31)5-8-21)29(39)33-20-6-11-25(24(32)15-20)41-22-9-12-27-34-26(17-36(27)16-22)35-28(38)13-14-42-2/h3-12,15-17H,13-14H2,1-2H3,(H,33,39)(H,35,38).

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

N-[3-fluoro-4-[2-(3-methylsulfanylpropanoylamino)imidazo[1,2-a]pyridin-6-yl]oxyphenyl]-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxamide has a molecular weight of 589.62 g/mol, XLogP of 5.81, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-fluoro-4-[2-(3-methylsulfanylpropanoylamino)imidazo[1,2-a]pyridin-6-yl]oxyphenyl]-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 46241921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).