2-benzyl-5-[[2-[3-(4-fluoroanilino)-2-(4-fluorophenyl)-8,8-dimethyl-5,6-dihydroimidazo[1,2-a]pyrazin-7-yl]-2-oxoethyl]amino]pentanamide

C34H38F2N6O2 — CID 67266301

About 2-benzyl-5-[[2-[3-(4-fluoroanilino)-2-(4-fluorophenyl)-8,8-dimethyl-5,6-dihydroimidazo[1,2-a]pyrazin-7-yl]-2-oxoethyl]amino]pentanamide

2-benzyl-5-[[2-[3-(4-fluoroanilino)-2-(4-fluorophenyl)-8,8-dimethyl-5,6-dihydroimidazo[1,2-a]pyrazin-7-yl]-2-oxoethyl]amino]pentanamide (PubChem CID 67266301) has the molecular formula C34H38F2N6O2 and a molecular weight of 600.71 g/mol. Its IUPAC name is 2-benzyl-5-[[2-[3-(4-fluoroanilino)-2-(4-fluorophenyl)-8,8-dimethyl-5,6-dihydroimidazo[1,2-a]pyrazin-7-yl]-2-oxoethyl]amino]pentanamide.

Molecular Properties

• Compound Name: 2-benzyl-5-[[2-[3-(4-fluoroanilino)-2-(4-fluorophenyl)-8,8-dimethyl-5,6-dihydroimidazo[1,2-a]pyrazin-7-yl]-2-oxoethyl]amino]pentanamide
• PubChem CID: 67266301
• Molecular Formula: C34H38F2N6O2
• Molecular Weight: 600.71 g/mol
• Exact Mass: 600.30
• IUPAC Name: 2-benzyl-5-[[2-[3-(4-fluoroanilino)-2-(4-fluorophenyl)-8,8-dimethyl-5,6-dihydroimidazo[1,2-a]pyrazin-7-yl]-2-oxoethyl]amino]pentanamide
• SMILES: CC1(C)c2nc(-c3ccc(F)cc3)c(Nc3ccc(F)cc3)n2CCN1C(=O)CNCCCC(Cc1ccccc1)C(N)=O
• InChI: InChI=1S/C34H38F2N6O2/c1-34(2)33-40-30(24-10-12-26(35)13-11-24)32(39-28-16-14-27(36)15-17-28)41(33)19-20-42(34)29(43)22-38-18-6-9-25(31(37)44)21-23-7-4-3-5-8-23/h3-5,7-8,10-17,25,38-39H,6,9,18-22H2,1-2H3,(H2,37,44)
• InChIKey: GOOMZYJTBGPEHP-UHFFFAOYSA-N
• XLogP: 5.36
• TPSA: 105.28 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	600.71
LogP ≤ 5	5.36
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-[[2-[3-(4-fluoroanilino)-2-(4-fluorophenyl)-8,8-dimethyl-5,6-dihydroimidazo[1,2-a]pyrazin-7-yl]-2-oxoethyl]amino]pentanamide?

The IUPAC name of 2-benzyl-5-[[2-[3-(4-fluoroanilino)-2-(4-fluorophenyl)-8,8-dimethyl-5,6-dihydroimidazo[1,2-a]pyrazin-7-yl]-2-oxoethyl]amino]pentanamide (CID 67266301) is 2-benzyl-5-[[2-[3-(4-fluoroanilino)-2-(4-fluorophenyl)-8,8-dimethyl-5,6-dihydroimidazo[1,2-a]pyrazin-7-yl]-2-oxoethyl]amino]pentanamide.

What is the SMILES notation for 2-benzyl-5-[[2-[3-(4-fluoroanilino)-2-(4-fluorophenyl)-8,8-dimethyl-5,6-dihydroimidazo[1,2-a]pyrazin-7-yl]-2-oxoethyl]amino]pentanamide?

The canonical SMILES for 2-benzyl-5-[[2-[3-(4-fluoroanilino)-2-(4-fluorophenyl)-8,8-dimethyl-5,6-dihydroimidazo[1,2-a]pyrazin-7-yl]-2-oxoethyl]amino]pentanamide is CC1(C)c2nc(-c3ccc(F)cc3)c(Nc3ccc(F)cc3)n2CCN1C(=O)CNCCCC(Cc1ccccc1)C(N)=O.

What is the InChIKey of 2-benzyl-5-[[2-[3-(4-fluoroanilino)-2-(4-fluorophenyl)-8,8-dimethyl-5,6-dihydroimidazo[1,2-a]pyrazin-7-yl]-2-oxoethyl]amino]pentanamide?

The InChIKey is GOOMZYJTBGPEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38F2N6O2/c1-34(2)33-40-30(24-10-12-26(35)13-11-24)32(39-28-16-14-27(36)15-17-28)41(33)19-20-42(34)29(43)22-38-18-6-9-25(31(37)44)21-23-7-4-3-5-8-23/h3-5,7-8,10-17,25,38-39H,6,9,18-22H2,1-2H3,(H2,37,44).

What are the key properties of 2-benzyl-5-[[2-[3-(4-fluoroanilino)-2-(4-fluorophenyl)-8,8-dimethyl-5,6-dihydroimidazo[1,2-a]pyrazin-7-yl]-2-oxoethyl]amino]pentanamide?

2-benzyl-5-[[2-[3-(4-fluoroanilino)-2-(4-fluorophenyl)-8,8-dimethyl-5,6-dihydroimidazo[1,2-a]pyrazin-7-yl]-2-oxoethyl]amino]pentanamide has a molecular weight of 600.71 g/mol, XLogP of 5.36, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-benzyl-5-[[2-[3-(4-fluoroanilino)-2-(4-fluorophenyl)-8,8-dimethyl-5,6-dihydroimidazo[1,2-a]pyrazin-7-yl]-2-oxoethyl]amino]pentanamide is sourced from PubChem (CID 67266301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).