4-[(3,4-difluorophenyl)methyl]-3-oxo-N-[(1R)-2-[(2-oxo-1,3-dihydroindol-5-yl)oxy]-1-phenylethyl]pyrazine-2-carboxamide

C28H22F2N4O4 — CID 58443048

About 4-[(3,4-difluorophenyl)methyl]-3-oxo-N-[(1R)-2-[(2-oxo-1,3-dihydroindol-5-yl)oxy]-1-phenylethyl]pyrazine-2-carboxamide

4-[(3,4-difluorophenyl)methyl]-3-oxo-N-[(1R)-2-[(2-oxo-1,3-dihydroindol-5-yl)oxy]-1-phenylethyl]pyrazine-2-carboxamide (PubChem CID 58443048) has the molecular formula C28H22F2N4O4 and a molecular weight of 516.50 g/mol. Its IUPAC name is 4-[(3,4-difluorophenyl)methyl]-3-oxo-N-[(1R)-2-[(2-oxo-1,3-dihydroindol-5-yl)oxy]-1-phenylethyl]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 4-[(3,4-difluorophenyl)methyl]-3-oxo-N-[(1R)-2-[(2-oxo-1,3-dihydroindol-5-yl)oxy]-1-phenylethyl]pyrazine-2-carboxamide
• PubChem CID: 58443048
• Molecular Formula: C28H22F2N4O4
• Molecular Weight: 516.50 g/mol
• Exact Mass: 516.16
• IUPAC Name: 4-[(3,4-difluorophenyl)methyl]-3-oxo-N-[(1R)-2-[(2-oxo-1,3-dihydroindol-5-yl)oxy]-1-phenylethyl]pyrazine-2-carboxamide
• SMILES: O=C1Cc2cc(OC[C@H](NC(=O)c3nccn(Cc4ccc(F)c(F)c4)c3=O)c3ccccc3)ccc2N1
• InChI: InChI=1S/C28H22F2N4O4/c29-21-8-6-17(12-22(21)30)15-34-11-10-31-26(28(34)37)27(36)33-24(18-4-2-1-3-5-18)16-38-20-7-9-23-19(13-20)14-25(35)32-23/h1-13,24H,14-16H2,(H,32,35)(H,33,36)/t24-/m0/s1
• InChIKey: GRHBLASYUGGIAW-DEOSSOPVSA-N
• XLogP: 3.61
• TPSA: 102.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	516.50
LogP ≤ 5	3.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-difluorophenyl)methyl]-3-oxo-N-[(1R)-2-[(2-oxo-1,3-dihydroindol-5-yl)oxy]-1-phenylethyl]pyrazine-2-carboxamide?

The IUPAC name of 4-[(3,4-difluorophenyl)methyl]-3-oxo-N-[(1R)-2-[(2-oxo-1,3-dihydroindol-5-yl)oxy]-1-phenylethyl]pyrazine-2-carboxamide (CID 58443048) is 4-[(3,4-difluorophenyl)methyl]-3-oxo-N-[(1R)-2-[(2-oxo-1,3-dihydroindol-5-yl)oxy]-1-phenylethyl]pyrazine-2-carboxamide.

What is the SMILES notation for 4-[(3,4-difluorophenyl)methyl]-3-oxo-N-[(1R)-2-[(2-oxo-1,3-dihydroindol-5-yl)oxy]-1-phenylethyl]pyrazine-2-carboxamide?

The canonical SMILES for 4-[(3,4-difluorophenyl)methyl]-3-oxo-N-[(1R)-2-[(2-oxo-1,3-dihydroindol-5-yl)oxy]-1-phenylethyl]pyrazine-2-carboxamide is O=C1Cc2cc(OC[C@H](NC(=O)c3nccn(Cc4ccc(F)c(F)c4)c3=O)c3ccccc3)ccc2N1.

What is the InChIKey of 4-[(3,4-difluorophenyl)methyl]-3-oxo-N-[(1R)-2-[(2-oxo-1,3-dihydroindol-5-yl)oxy]-1-phenylethyl]pyrazine-2-carboxamide?

The InChIKey is GRHBLASYUGGIAW-DEOSSOPVSA-N. The full InChI is InChI=1S/C28H22F2N4O4/c29-21-8-6-17(12-22(21)30)15-34-11-10-31-26(28(34)37)27(36)33-24(18-4-2-1-3-5-18)16-38-20-7-9-23-19(13-20)14-25(35)32-23/h1-13,24H,14-16H2,(H,32,35)(H,33,36)/t24-/m0/s1.

What are the key properties of 4-[(3,4-difluorophenyl)methyl]-3-oxo-N-[(1R)-2-[(2-oxo-1,3-dihydroindol-5-yl)oxy]-1-phenylethyl]pyrazine-2-carboxamide?

4-[(3,4-difluorophenyl)methyl]-3-oxo-N-[(1R)-2-[(2-oxo-1,3-dihydroindol-5-yl)oxy]-1-phenylethyl]pyrazine-2-carboxamide has a molecular weight of 516.50 g/mol, XLogP of 3.61, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(3,4-difluorophenyl)methyl]-3-oxo-N-[(1R)-2-[(2-oxo-1,3-dihydroindol-5-yl)oxy]-1-phenylethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 58443048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).