2-[(3R,4S)-1-(4-cyanopyrimidin-5-yl)-5-oxo-4-phenylpyrrolidin-3-yl]-N-cyclopropyl-2-oxoacetamide;2-[(3R,4S)-1-(4-cyanopyrimidin-5-yl)-5-oxo-4-phenylpyrrolidin-3-yl]-N-(2,2-difluoropropyl)-2-oxoacetamide;N-(cyclopropylmethyl)-2-oxo-2-[(3R,4S)-5-oxo-4-phenyl-1-pyrimidin-5-ylpyrrolidin-3-yl]acetamide

C60H54F2N14O9 — CID 160998125

About 2-[(3R,4S)-1-(4-cyanopyrimidin-5-yl)-5-oxo-4-phenylpyrrolidin-3-yl]-N-cyclopropyl-2-oxoacetamide;2-[(3R,4S)-1-(4-cyanopyrimidin-5-yl)-5-oxo-4-phenylpyrrolidin-3-yl]-N-(2,2-difluoropropyl)-2-oxoacetamide;N-(cyclopropylmethyl)-2-oxo-2-[(3R,4S)-5-oxo-4-phenyl-1-pyrimidin-5-ylpyrrolidin-3-yl]acetamide

2-[(3R,4S)-1-(4-cyanopyrimidin-5-yl)-5-oxo-4-phenylpyrrolidin-3-yl]-N-cyclopropyl-2-oxoacetamide;2-[(3R,4S)-1-(4-cyanopyrimidin-5-yl)-5-oxo-4-phenylpyrrolidin-3-yl]-N-(2,2-difluoropropyl)-2-oxoacetamide;N-(cyclopropylmethyl)-2-oxo-2-[(3R,4S)-5-oxo-4-phenyl-1-pyrimidin-5-ylpyrrolidin-3-yl]acetamide (PubChem CID 160998125) has the molecular formula C60H54F2N14O9 and a molecular weight of 1153.18 g/mol. Its IUPAC name is 2-[(3R,4S)-1-(4-cyanopyrimidin-5-yl)-5-oxo-4-phenylpyrrolidin-3-yl]-N-cyclopropyl-2-oxoacetamide;2-[(3R,4S)-1-(4-cyanopyrimidin-5-yl)-5-oxo-4-phenylpyrrolidin-3-yl]-N-(2,2-difluoropropyl)-2-oxoacetamide;N-(cyclopropylmethyl)-2-oxo-2-[(3R,4S)-5-oxo-4-phenyl-1-pyrimidin-5-ylpyrrolidin-3-yl]acetamide.

Molecular Properties

• Compound Name: 2-[(3R,4S)-1-(4-cyanopyrimidin-5-yl)-5-oxo-4-phenylpyrrolidin-3-yl]-N-cyclopropyl-2-oxoacetamide;2-[(3R,4S)-1-(4-cyanopyrimidin-5-yl)-5-oxo-4-phenylpyrrolidin-3-yl]-N-(2,2-difluoropropyl)-2-oxoacetamide;N-(cyclopropylmethyl)-2-oxo-2-[(3R,4S)-5-oxo-4-phenyl-1-pyrimidin-5-ylpyrrolidin-3-yl]acetamide
• PubChem CID: 160998125
• Molecular Formula: C60H54F2N14O9
• Molecular Weight: 1153.18 g/mol
• Exact Mass: 1152.42
• IUPAC Name: 2-[(3R,4S)-1-(4-cyanopyrimidin-5-yl)-5-oxo-4-phenylpyrrolidin-3-yl]-N-cyclopropyl-2-oxoacetamide;2-[(3R,4S)-1-(4-cyanopyrimidin-5-yl)-5-oxo-4-phenylpyrrolidin-3-yl]-N-(2,2-difluoropropyl)-2-oxoacetamide;N-(cyclopropylmethyl)-2-oxo-2-[(3R,4S)-5-oxo-4-phenyl-1-pyrimidin-5-ylpyrrolidin-3-yl]acetamide
• SMILES: CC(F)(F)CNC(=O)C(=O)[C@H]1CN(c2cncnc2C#N)C(=O)[C@@H]1c1ccccc1.N#Cc1ncncc1N1C[C@H](C(=O)C(=O)NC2CC2)[C@@H](c2ccccc2)C1=O.O=C(NCC1CC1)C(=O)[C@H]1CN(c2cncnc2)C(=O)[C@@H]1c1ccccc1
• InChI: InChI=1S/C20H17F2N5O3.C20H17N5O3.C20H20N4O3/c1-20(21,22)10-25-18(29)17(28)13-9-27(15-8-24-11-26-14(15)7-23)19(30)16(13)12-5-3-2-4-6-12;21-8-15-16(9-22-11-23-15)25-10-14(18(26)19(27)24-13-6-7-13)17(20(25)28)12-4-2-1-3-5-12;25-18(19(26)23-8-13-6-7-13)16-11-24(15-9-21-12-22-10-15)20(27)17(16)14-4-2-1-3-5-14/h2-6,8,11,13,16H,9-10H2,1H3,(H,25,29);1-5,9,11,13-14,17H,6-7,10H2,(H,24,27);1-5,9-10,12-13,16-17H,6-8,11H2,(H,23,26)/t13-,16+;14-,17+;16-,17+/m000/s1
• InChIKey: TVNAAEKAYFQYIU-ILFCDNKUSA-N
• XLogP: 3.70
• TPSA: 324.36 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Rotatable Bonds: 17
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1153.18
LogP ≤ 5	3.70
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,4S)-1-(4-cyanopyrimidin-5-yl)-5-oxo-4-phenylpyrrolidin-3-yl]-N-cyclopropyl-2-oxoacetamide;2-[(3R,4S)-1-(4-cyanopyrimidin-5-yl)-5-oxo-4-phenylpyrrolidin-3-yl]-N-(2,2-difluoropropyl)-2-oxoacetamide;N-(cyclopropylmethyl)-2-oxo-2-[(3R,4S)-5-oxo-4-phenyl-1-pyrimidin-5-ylpyrrolidin-3-yl]acetamide?

The IUPAC name of 2-[(3R,4S)-1-(4-cyanopyrimidin-5-yl)-5-oxo-4-phenylpyrrolidin-3-yl]-N-cyclopropyl-2-oxoacetamide;2-[(3R,4S)-1-(4-cyanopyrimidin-5-yl)-5-oxo-4-phenylpyrrolidin-3-yl]-N-(2,2-difluoropropyl)-2-oxoacetamide;N-(cyclopropylmethyl)-2-oxo-2-[(3R,4S)-5-oxo-4-phenyl-1-pyrimidin-5-ylpyrrolidin-3-yl]acetamide (CID 160998125) is 2-[(3R,4S)-1-(4-cyanopyrimidin-5-yl)-5-oxo-4-phenylpyrrolidin-3-yl]-N-cyclopropyl-2-oxoacetamide;2-[(3R,4S)-1-(4-cyanopyrimidin-5-yl)-5-oxo-4-phenylpyrrolidin-3-yl]-N-(2,2-difluoropropyl)-2-oxoacetamide;N-(cyclopropylmethyl)-2-oxo-2-[(3R,4S)-5-oxo-4-phenyl-1-pyrimidin-5-ylpyrrolidin-3-yl]acetamide.

What is the SMILES notation for 2-[(3R,4S)-1-(4-cyanopyrimidin-5-yl)-5-oxo-4-phenylpyrrolidin-3-yl]-N-cyclopropyl-2-oxoacetamide;2-[(3R,4S)-1-(4-cyanopyrimidin-5-yl)-5-oxo-4-phenylpyrrolidin-3-yl]-N-(2,2-difluoropropyl)-2-oxoacetamide;N-(cyclopropylmethyl)-2-oxo-2-[(3R,4S)-5-oxo-4-phenyl-1-pyrimidin-5-ylpyrrolidin-3-yl]acetamide?

The canonical SMILES for 2-[(3R,4S)-1-(4-cyanopyrimidin-5-yl)-5-oxo-4-phenylpyrrolidin-3-yl]-N-cyclopropyl-2-oxoacetamide;2-[(3R,4S)-1-(4-cyanopyrimidin-5-yl)-5-oxo-4-phenylpyrrolidin-3-yl]-N-(2,2-difluoropropyl)-2-oxoacetamide;N-(cyclopropylmethyl)-2-oxo-2-[(3R,4S)-5-oxo-4-phenyl-1-pyrimidin-5-ylpyrrolidin-3-yl]acetamide is CC(F)(F)CNC(=O)C(=O)[C@H]1CN(c2cncnc2C#N)C(=O)[C@@H]1c1ccccc1.N#Cc1ncncc1N1C[C@H](C(=O)C(=O)NC2CC2)[C@@H](c2ccccc2)C1=O.O=C(NCC1CC1)C(=O)[C@H]1CN(c2cncnc2)C(=O)[C@@H]1c1ccccc1.

What is the InChIKey of 2-[(3R,4S)-1-(4-cyanopyrimidin-5-yl)-5-oxo-4-phenylpyrrolidin-3-yl]-N-cyclopropyl-2-oxoacetamide;2-[(3R,4S)-1-(4-cyanopyrimidin-5-yl)-5-oxo-4-phenylpyrrolidin-3-yl]-N-(2,2-difluoropropyl)-2-oxoacetamide;N-(cyclopropylmethyl)-2-oxo-2-[(3R,4S)-5-oxo-4-phenyl-1-pyrimidin-5-ylpyrrolidin-3-yl]acetamide?

The InChIKey is TVNAAEKAYFQYIU-ILFCDNKUSA-N. The full InChI is InChI=1S/C20H17F2N5O3.C20H17N5O3.C20H20N4O3/c1-20(21,22)10-25-18(29)17(28)13-9-27(15-8-24-11-26-14(15)7-23)19(30)16(13)12-5-3-2-4-6-12;21-8-15-16(9-22-11-23-15)25-10-14(18(26)19(27)24-13-6-7-13)17(20(25)28)12-4-2-1-3-5-12;25-18(19(26)23-8-13-6-7-13)16-11-24(15-9-21-12-22-10-15)20(27)17(16)14-4-2-1-3-5-14/h2-6,8,11,13,16H,9-10H2,1H3,(H,25,29);1-5,9,11,13-14,17H,6-7,10H2,(H,24,27);1-5,9-10,12-13,16-17H,6-8,11H2,(H,23,26)/t13-,16+;14-,17+;16-,17+/m000/s1.

What are the key properties of 2-[(3R,4S)-1-(4-cyanopyrimidin-5-yl)-5-oxo-4-phenylpyrrolidin-3-yl]-N-cyclopropyl-2-oxoacetamide;2-[(3R,4S)-1-(4-cyanopyrimidin-5-yl)-5-oxo-4-phenylpyrrolidin-3-yl]-N-(2,2-difluoropropyl)-2-oxoacetamide;N-(cyclopropylmethyl)-2-oxo-2-[(3R,4S)-5-oxo-4-phenyl-1-pyrimidin-5-ylpyrrolidin-3-yl]acetamide?

2-[(3R,4S)-1-(4-cyanopyrimidin-5-yl)-5-oxo-4-phenylpyrrolidin-3-yl]-N-cyclopropyl-2-oxoacetamide;2-[(3R,4S)-1-(4-cyanopyrimidin-5-yl)-5-oxo-4-phenylpyrrolidin-3-yl]-N-(2,2-difluoropropyl)-2-oxoacetamide;N-(cyclopropylmethyl)-2-oxo-2-[(3R,4S)-5-oxo-4-phenyl-1-pyrimidin-5-ylpyrrolidin-3-yl]acetamide has a molecular weight of 1153.18 g/mol, XLogP of 3.70, 17 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3R,4S)-1-(4-cyanopyrimidin-5-yl)-5-oxo-4-phenylpyrrolidin-3-yl]-N-cyclopropyl-2-oxoacetamide;2-[(3R,4S)-1-(4-cyanopyrimidin-5-yl)-5-oxo-4-phenylpyrrolidin-3-yl]-N-(2,2-difluoropropyl)-2-oxoacetamide;N-(cyclopropylmethyl)-2-oxo-2-[(3R,4S)-5-oxo-4-phenyl-1-pyrimidin-5-ylpyrrolidin-3-yl]acetamide is sourced from PubChem (CID 160998125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).