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

C54H54F2N10O9 — CID 158972252

IUPAC2-[(3R,4S)-4-benzyl-5-oxo-1-pyrimidin-5-ylpyrrolidin-3-yl]-N-cyclopropyl-2-oxoacetamide;N-cyclopropyl-2-oxo-2-[(3R,4S)-5-oxo-4-phenyl-1-pyrimidin-5-ylpyrrolidin-3-yl]acetamide;N-(2,2-difluoropropyl)-2-oxo-2-[(3R,4S)-5-oxo-4-phenylpyrrolidin-3-yl]acetamide
SMILESCC(F)(F)CNC(=O)C(=O)[C@H]1CNC(=O)[C@@H]1c1ccccc1.O=C(NC1CC1)C(=O)[C@H]1CN(c2cncnc2)C(=O)[C@@H]1c1ccccc1.O=C(NC1CC1)C(=O)[C@H]1CN(c2cncnc2)C(=O)[C@H]1Cc1ccccc1
InChIInChI=1S/C20H20N4O3.C19H18N4O3.C15H16F2N2O3/c25-18(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;24-17(18(25)22-13-6-7-13)15-10-23(14-8-20-11-21-9-14)19(26)16(15)12-4-2-1-3-5-12;1-15(16,17)8-19-14(22)12(20)10-7-18-13(21)11(10)9-5-3-2-4-6-9/h1-5,9-10,12,14,16-17H,6-8,11H2,(H,23,26);1-5,8-9,11,13,15-16H,6-7,10H2,(H,22,25);2-6,10-11H,7-8H2,1H3,(H,18,21)(H,19,22)/t16-,17-;15-,16+;10-,11+/m000/s1
InChIKeyJNYOAASWWTUEBQ-GGXMOKELSA-N
MW1025.08 g/mol
LogP3.07
Rot. Bonds16

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

2-[(3R,4S)-4-benzyl-5-oxo-1-pyrimidin-5-ylpyrrolidin-3-yl]-N-cyclopropyl-2-oxoacetamide;N-cyclopropyl-2-oxo-2-[(3R,4S)-5-oxo-4-phenyl-1-pyrimidin-5-ylpyrrolidin-3-yl]acetamide;N-(2,2-difluoropropyl)-2-oxo-2-[(3R,4S)-5-oxo-4-phenylpyrrolidin-3-yl]acetamide (PubChem CID 158972252) has the molecular formula C54H54F2N10O9 and a molecular weight of 1025.08 g/mol. Its IUPAC name is 2-[(3R,4S)-4-benzyl-5-oxo-1-pyrimidin-5-ylpyrrolidin-3-yl]-N-cyclopropyl-2-oxoacetamide;N-cyclopropyl-2-oxo-2-[(3R,4S)-5-oxo-4-phenyl-1-pyrimidin-5-ylpyrrolidin-3-yl]acetamide;N-(2,2-difluoropropyl)-2-oxo-2-[(3R,4S)-5-oxo-4-phenylpyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-[(3R,4S)-4-benzyl-5-oxo-1-pyrimidin-5-ylpyrrolidin-3-yl]-N-cyclopropyl-2-oxoacetamide;N-cyclopropyl-2-oxo-2-[(3R,4S)-5-oxo-4-phenyl-1-pyrimidin-5-ylpyrrolidin-3-yl]acetamide;N-(2,2-difluoropropyl)-2-oxo-2-[(3R,4S)-5-oxo-4-phenylpyrrolidin-3-yl]acetamide
PubChem CID158972252
Molecular FormulaC54H54F2N10O9
Molecular Weight1025.08 g/mol
Exact Mass1024.40
IUPAC Name2-[(3R,4S)-4-benzyl-5-oxo-1-pyrimidin-5-ylpyrrolidin-3-yl]-N-cyclopropyl-2-oxoacetamide;N-cyclopropyl-2-oxo-2-[(3R,4S)-5-oxo-4-phenyl-1-pyrimidin-5-ylpyrrolidin-3-yl]acetamide;N-(2,2-difluoropropyl)-2-oxo-2-[(3R,4S)-5-oxo-4-phenylpyrrolidin-3-yl]acetamide
SMILESCC(F)(F)CNC(=O)C(=O)[C@H]1CNC(=O)[C@@H]1c1ccccc1.O=C(NC1CC1)C(=O)[C@H]1CN(c2cncnc2)C(=O)[C@@H]1c1ccccc1.O=C(NC1CC1)C(=O)[C@H]1CN(c2cncnc2)C(=O)[C@H]1Cc1ccccc1
InChIInChI=1S/C20H20N4O3.C19H18N4O3.C15H16F2N2O3/c25-18(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;24-17(18(25)22-13-6-7-13)15-10-23(14-8-20-11-21-9-14)19(26)16(15)12-4-2-1-3-5-12;1-15(16,17)8-19-14(22)12(20)10-7-18-13(21)11(10)9-5-3-2-4-6-9/h1-5,9-10,12,14,16-17H,6-8,11H2,(H,23,26);1-5,8-9,11,13,15-16H,6-7,10H2,(H,22,25);2-6,10-11H,7-8H2,1H3,(H,18,21)(H,19,22)/t16-,17-;15-,16+;10-,11+/m000/s1
InChIKeyJNYOAASWWTUEBQ-GGXMOKELSA-N
XLogP3.07
TPSA259.79 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds16
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001025.08
LogP ≤ 53.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4S)-4-benzyl-5-oxo-1-pyrimidin-5-ylpyrrolidin-3-yl]-N-cyclopropyl-2-oxoacetamide;N-cyclopropyl-2-oxo-2-[(3R,4S)-5-oxo-4-phenyl-1-pyrimidin-5-ylpyrrolidin-3-yl]acetamide;N-(2,2-difluoropropyl)-2-oxo-2-[(3R,4S)-5-oxo-4-phenylpyrrolidin-3-yl]acetamide?
The IUPAC name of 2-[(3R,4S)-4-benzyl-5-oxo-1-pyrimidin-5-ylpyrrolidin-3-yl]-N-cyclopropyl-2-oxoacetamide;N-cyclopropyl-2-oxo-2-[(3R,4S)-5-oxo-4-phenyl-1-pyrimidin-5-ylpyrrolidin-3-yl]acetamide;N-(2,2-difluoropropyl)-2-oxo-2-[(3R,4S)-5-oxo-4-phenylpyrrolidin-3-yl]acetamide (CID 158972252) is 2-[(3R,4S)-4-benzyl-5-oxo-1-pyrimidin-5-ylpyrrolidin-3-yl]-N-cyclopropyl-2-oxoacetamide;N-cyclopropyl-2-oxo-2-[(3R,4S)-5-oxo-4-phenyl-1-pyrimidin-5-ylpyrrolidin-3-yl]acetamide;N-(2,2-difluoropropyl)-2-oxo-2-[(3R,4S)-5-oxo-4-phenylpyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-[(3R,4S)-4-benzyl-5-oxo-1-pyrimidin-5-ylpyrrolidin-3-yl]-N-cyclopropyl-2-oxoacetamide;N-cyclopropyl-2-oxo-2-[(3R,4S)-5-oxo-4-phenyl-1-pyrimidin-5-ylpyrrolidin-3-yl]acetamide;N-(2,2-difluoropropyl)-2-oxo-2-[(3R,4S)-5-oxo-4-phenylpyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-[(3R,4S)-4-benzyl-5-oxo-1-pyrimidin-5-ylpyrrolidin-3-yl]-N-cyclopropyl-2-oxoacetamide;N-cyclopropyl-2-oxo-2-[(3R,4S)-5-oxo-4-phenyl-1-pyrimidin-5-ylpyrrolidin-3-yl]acetamide;N-(2,2-difluoropropyl)-2-oxo-2-[(3R,4S)-5-oxo-4-phenylpyrrolidin-3-yl]acetamide is CC(F)(F)CNC(=O)C(=O)[C@H]1CNC(=O)[C@@H]1c1ccccc1.O=C(NC1CC1)C(=O)[C@H]1CN(c2cncnc2)C(=O)[C@@H]1c1ccccc1.O=C(NC1CC1)C(=O)[C@H]1CN(c2cncnc2)C(=O)[C@H]1Cc1ccccc1.
What is the InChIKey of 2-[(3R,4S)-4-benzyl-5-oxo-1-pyrimidin-5-ylpyrrolidin-3-yl]-N-cyclopropyl-2-oxoacetamide;N-cyclopropyl-2-oxo-2-[(3R,4S)-5-oxo-4-phenyl-1-pyrimidin-5-ylpyrrolidin-3-yl]acetamide;N-(2,2-difluoropropyl)-2-oxo-2-[(3R,4S)-5-oxo-4-phenylpyrrolidin-3-yl]acetamide?
The InChIKey is JNYOAASWWTUEBQ-GGXMOKELSA-N. The full InChI is InChI=1S/C20H20N4O3.C19H18N4O3.C15H16F2N2O3/c25-18(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;24-17(18(25)22-13-6-7-13)15-10-23(14-8-20-11-21-9-14)19(26)16(15)12-4-2-1-3-5-12;1-15(16,17)8-19-14(22)12(20)10-7-18-13(21)11(10)9-5-3-2-4-6-9/h1-5,9-10,12,14,16-17H,6-8,11H2,(H,23,26);1-5,8-9,11,13,15-16H,6-7,10H2,(H,22,25);2-6,10-11H,7-8H2,1H3,(H,18,21)(H,19,22)/t16-,17-;15-,16+;10-,11+/m000/s1.
What are the key properties of 2-[(3R,4S)-4-benzyl-5-oxo-1-pyrimidin-5-ylpyrrolidin-3-yl]-N-cyclopropyl-2-oxoacetamide;N-cyclopropyl-2-oxo-2-[(3R,4S)-5-oxo-4-phenyl-1-pyrimidin-5-ylpyrrolidin-3-yl]acetamide;N-(2,2-difluoropropyl)-2-oxo-2-[(3R,4S)-5-oxo-4-phenylpyrrolidin-3-yl]acetamide?
2-[(3R,4S)-4-benzyl-5-oxo-1-pyrimidin-5-ylpyrrolidin-3-yl]-N-cyclopropyl-2-oxoacetamide;N-cyclopropyl-2-oxo-2-[(3R,4S)-5-oxo-4-phenyl-1-pyrimidin-5-ylpyrrolidin-3-yl]acetamide;N-(2,2-difluoropropyl)-2-oxo-2-[(3R,4S)-5-oxo-4-phenylpyrrolidin-3-yl]acetamide has a molecular weight of 1025.08 g/mol, XLogP of 3.07, 16 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4S)-4-benzyl-5-oxo-1-pyrimidin-5-ylpyrrolidin-3-yl]-N-cyclopropyl-2-oxoacetamide;N-cyclopropyl-2-oxo-2-[(3R,4S)-5-oxo-4-phenyl-1-pyrimidin-5-ylpyrrolidin-3-yl]acetamide;N-(2,2-difluoropropyl)-2-oxo-2-[(3R,4S)-5-oxo-4-phenylpyrrolidin-3-yl]acetamide is sourced from PubChem (CID 158972252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).