2-[(3R,4R)-4-benzyl-5-oxo-1-pyrimidin-5-ylpyrrolidin-3-yl]-N-cyclopropyl-2-oxoacetamide;N-cyclopropyl-2-[(3R,4R)-4-[(4-fluorophenyl)methyl]-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-5-oxopyrrolidin-3-yl]-2-oxoacetamide;N-(2,2-difluoropropyl)-2-[(3R,4R)-4-[(4-fluorophenyl)methyl]-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-5-oxopyrrolidin-3-yl]-2-oxoacetamide

C60H64F4N14O9 — CID 161272513

About 2-[(3R,4R)-4-benzyl-5-oxo-1-pyrimidin-5-ylpyrrolidin-3-yl]-N-cyclopropyl-2-oxoacetamide;N-cyclopropyl-2-[(3R,4R)-4-[(4-fluorophenyl)methyl]-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-5-oxopyrrolidin-3-yl]-2-oxoacetamide;N-(2,2-difluoropropyl)-2-[(3R,4R)-4-[(4-fluorophenyl)methyl]-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-5-oxopyrrolidin-3-yl]-2-oxoacetamide

2-[(3R,4R)-4-benzyl-5-oxo-1-pyrimidin-5-ylpyrrolidin-3-yl]-N-cyclopropyl-2-oxoacetamide;N-cyclopropyl-2-[(3R,4R)-4-[(4-fluorophenyl)methyl]-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-5-oxopyrrolidin-3-yl]-2-oxoacetamide;N-(2,2-difluoropropyl)-2-[(3R,4R)-4-[(4-fluorophenyl)methyl]-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-5-oxopyrrolidin-3-yl]-2-oxoacetamide (PubChem CID 161272513) has the molecular formula C60H64F4N14O9 and a molecular weight of 1201.25 g/mol. Its IUPAC name is 2-[(3R,4R)-4-benzyl-5-oxo-1-pyrimidin-5-ylpyrrolidin-3-yl]-N-cyclopropyl-2-oxoacetamide;N-cyclopropyl-2-[(3R,4R)-4-[(4-fluorophenyl)methyl]-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-5-oxopyrrolidin-3-yl]-2-oxoacetamide;N-(2,2-difluoropropyl)-2-[(3R,4R)-4-[(4-fluorophenyl)methyl]-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-5-oxopyrrolidin-3-yl]-2-oxoacetamide.

Molecular Properties

• Compound Name: 2-[(3R,4R)-4-benzyl-5-oxo-1-pyrimidin-5-ylpyrrolidin-3-yl]-N-cyclopropyl-2-oxoacetamide;N-cyclopropyl-2-[(3R,4R)-4-[(4-fluorophenyl)methyl]-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-5-oxopyrrolidin-3-yl]-2-oxoacetamide;N-(2,2-difluoropropyl)-2-[(3R,4R)-4-[(4-fluorophenyl)methyl]-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-5-oxopyrrolidin-3-yl]-2-oxoacetamide
• PubChem CID: 161272513
• Molecular Formula: C60H64F4N14O9
• Molecular Weight: 1201.25 g/mol
• Exact Mass: 1200.49
• IUPAC Name: 2-[(3R,4R)-4-benzyl-5-oxo-1-pyrimidin-5-ylpyrrolidin-3-yl]-N-cyclopropyl-2-oxoacetamide;N-cyclopropyl-2-[(3R,4R)-4-[(4-fluorophenyl)methyl]-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-5-oxopyrrolidin-3-yl]-2-oxoacetamide;N-(2,2-difluoropropyl)-2-[(3R,4R)-4-[(4-fluorophenyl)methyl]-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-5-oxopyrrolidin-3-yl]-2-oxoacetamide
• SMILES: Cn1ncnc1CN1C[C@H](C(=O)C(=O)NC2CC2)[C@@H](Cc2ccc(F)cc2)C1=O.Cn1ncnc1CN1C[C@H](C(=O)C(=O)NCC(C)(F)F)[C@@H](Cc2ccc(F)cc2)C1=O.O=C(NC1CC1)C(=O)[C@H]1CN(c2cncnc2)C(=O)[C@@H]1Cc1ccccc1
• InChI: InChI=1S/C20H22F3N5O3.C20H22FN5O3.C20H20N4O3/c1-20(22,23)10-24-18(30)17(29)15-8-28(9-16-25-11-26-27(16)2)19(31)14(15)7-12-3-5-13(21)6-4-12;1-25-17(22-11-23-25)10-26-9-16(18(27)19(28)24-14-6-7-14)15(20(26)29)8-12-2-4-13(21)5-3-12;25-18(19(26)23-14-6-7-14)17-11-24(15-9-21-12-22-10-15)20(27)16(17)8-13-4-2-1-3-5-13/h3-6,11,14-15H,7-10H2,1-2H3,(H,24,30);2-5,11,14-16H,6-10H2,1H3,(H,24,28);1-5,9-10,12,14,16-17H,6-8,11H2,(H,23,26)/t14-,15+;15-,16+;16-,17+/m111/s1
• InChIKey: VDZVPJFIASECOO-FKNSUNCVSA-N
• XLogP: 2.88
• TPSA: 286.64 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Rotatable Bonds: 21
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1201.25
LogP ≤ 5	2.88
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4R)-4-benzyl-5-oxo-1-pyrimidin-5-ylpyrrolidin-3-yl]-N-cyclopropyl-2-oxoacetamide;N-cyclopropyl-2-[(3R,4R)-4-[(4-fluorophenyl)methyl]-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-5-oxopyrrolidin-3-yl]-2-oxoacetamide;N-(2,2-difluoropropyl)-2-[(3R,4R)-4-[(4-fluorophenyl)methyl]-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-5-oxopyrrolidin-3-yl]-2-oxoacetamide?

The IUPAC name of 2-[(3R,4R)-4-benzyl-5-oxo-1-pyrimidin-5-ylpyrrolidin-3-yl]-N-cyclopropyl-2-oxoacetamide;N-cyclopropyl-2-[(3R,4R)-4-[(4-fluorophenyl)methyl]-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-5-oxopyrrolidin-3-yl]-2-oxoacetamide;N-(2,2-difluoropropyl)-2-[(3R,4R)-4-[(4-fluorophenyl)methyl]-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-5-oxopyrrolidin-3-yl]-2-oxoacetamide (CID 161272513) is 2-[(3R,4R)-4-benzyl-5-oxo-1-pyrimidin-5-ylpyrrolidin-3-yl]-N-cyclopropyl-2-oxoacetamide;N-cyclopropyl-2-[(3R,4R)-4-[(4-fluorophenyl)methyl]-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-5-oxopyrrolidin-3-yl]-2-oxoacetamide;N-(2,2-difluoropropyl)-2-[(3R,4R)-4-[(4-fluorophenyl)methyl]-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-5-oxopyrrolidin-3-yl]-2-oxoacetamide.

What is the SMILES notation for 2-[(3R,4R)-4-benzyl-5-oxo-1-pyrimidin-5-ylpyrrolidin-3-yl]-N-cyclopropyl-2-oxoacetamide;N-cyclopropyl-2-[(3R,4R)-4-[(4-fluorophenyl)methyl]-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-5-oxopyrrolidin-3-yl]-2-oxoacetamide;N-(2,2-difluoropropyl)-2-[(3R,4R)-4-[(4-fluorophenyl)methyl]-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-5-oxopyrrolidin-3-yl]-2-oxoacetamide?

The canonical SMILES for 2-[(3R,4R)-4-benzyl-5-oxo-1-pyrimidin-5-ylpyrrolidin-3-yl]-N-cyclopropyl-2-oxoacetamide;N-cyclopropyl-2-[(3R,4R)-4-[(4-fluorophenyl)methyl]-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-5-oxopyrrolidin-3-yl]-2-oxoacetamide;N-(2,2-difluoropropyl)-2-[(3R,4R)-4-[(4-fluorophenyl)methyl]-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-5-oxopyrrolidin-3-yl]-2-oxoacetamide is Cn1ncnc1CN1C[C@H](C(=O)C(=O)NC2CC2)[C@@H](Cc2ccc(F)cc2)C1=O.Cn1ncnc1CN1C[C@H](C(=O)C(=O)NCC(C)(F)F)[C@@H](Cc2ccc(F)cc2)C1=O.O=C(NC1CC1)C(=O)[C@H]1CN(c2cncnc2)C(=O)[C@@H]1Cc1ccccc1.

What is the InChIKey of 2-[(3R,4R)-4-benzyl-5-oxo-1-pyrimidin-5-ylpyrrolidin-3-yl]-N-cyclopropyl-2-oxoacetamide;N-cyclopropyl-2-[(3R,4R)-4-[(4-fluorophenyl)methyl]-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-5-oxopyrrolidin-3-yl]-2-oxoacetamide;N-(2,2-difluoropropyl)-2-[(3R,4R)-4-[(4-fluorophenyl)methyl]-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-5-oxopyrrolidin-3-yl]-2-oxoacetamide?

The InChIKey is VDZVPJFIASECOO-FKNSUNCVSA-N. The full InChI is InChI=1S/C20H22F3N5O3.C20H22FN5O3.C20H20N4O3/c1-20(22,23)10-24-18(30)17(29)15-8-28(9-16-25-11-26-27(16)2)19(31)14(15)7-12-3-5-13(21)6-4-12;1-25-17(22-11-23-25)10-26-9-16(18(27)19(28)24-14-6-7-14)15(20(26)29)8-12-2-4-13(21)5-3-12;25-18(19(26)23-14-6-7-14)17-11-24(15-9-21-12-22-10-15)20(27)16(17)8-13-4-2-1-3-5-13/h3-6,11,14-15H,7-10H2,1-2H3,(H,24,30);2-5,11,14-16H,6-10H2,1H3,(H,24,28);1-5,9-10,12,14,16-17H,6-8,11H2,(H,23,26)/t14-,15+;15-,16+;16-,17+/m111/s1.

What are the key properties of 2-[(3R,4R)-4-benzyl-5-oxo-1-pyrimidin-5-ylpyrrolidin-3-yl]-N-cyclopropyl-2-oxoacetamide;N-cyclopropyl-2-[(3R,4R)-4-[(4-fluorophenyl)methyl]-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-5-oxopyrrolidin-3-yl]-2-oxoacetamide;N-(2,2-difluoropropyl)-2-[(3R,4R)-4-[(4-fluorophenyl)methyl]-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-5-oxopyrrolidin-3-yl]-2-oxoacetamide?

2-[(3R,4R)-4-benzyl-5-oxo-1-pyrimidin-5-ylpyrrolidin-3-yl]-N-cyclopropyl-2-oxoacetamide;N-cyclopropyl-2-[(3R,4R)-4-[(4-fluorophenyl)methyl]-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-5-oxopyrrolidin-3-yl]-2-oxoacetamide;N-(2,2-difluoropropyl)-2-[(3R,4R)-4-[(4-fluorophenyl)methyl]-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-5-oxopyrrolidin-3-yl]-2-oxoacetamide has a molecular weight of 1201.25 g/mol, XLogP of 2.88, 21 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3R,4R)-4-benzyl-5-oxo-1-pyrimidin-5-ylpyrrolidin-3-yl]-N-cyclopropyl-2-oxoacetamide;N-cyclopropyl-2-[(3R,4R)-4-[(4-fluorophenyl)methyl]-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-5-oxopyrrolidin-3-yl]-2-oxoacetamide;N-(2,2-difluoropropyl)-2-[(3R,4R)-4-[(4-fluorophenyl)methyl]-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-5-oxopyrrolidin-3-yl]-2-oxoacetamide is sourced from PubChem (CID 161272513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).