2-[(3R,4R)-4-benzyl-5-oxo-1-pyrazin-2-ylpyrrolidin-3-yl]-N-cyclopropyl-2-oxoacetamide;2-[(3R,4R)-4-benzyl-5-oxo-1-pyrimidin-5-ylpyrrolidin-3-yl]-N-(2,2-difluoropropyl)-2-oxoacetamide;2-[(3R,4R)-4-benzyl-5-oxo-1-pyrimidin-5-ylpyrrolidin-3-yl]-N-ethyl-2-oxoacetamide;methane

C60H64F2N12O9 — CID 158637143

IUPAC2-[(3R,4R)-4-benzyl-5-oxo-1-pyrazin-2-ylpyrrolidin-3-yl]-N-cyclopropyl-2-oxoacetamide;2-[(3R,4R)-4-benzyl-5-oxo-1-pyrimidin-5-ylpyrrolidin-3-yl]-N-(2,2-difluoropropyl)-2-oxoacetamide;2-[(3R,4R)-4-benzyl-5-oxo-1-pyrimidin-5-ylpyrrolidin-3-yl]-N-ethyl-2-oxoacetamide;methane
SMILESC.CC(F)(F)CNC(=O)C(=O)[C@H]1CN(c2cncnc2)C(=O)[C@@H]1Cc1ccccc1.CCNC(=O)C(=O)[C@H]1CN(c2cncnc2)C(=O)[C@@H]1Cc1ccccc1.O=C(NC1CC1)C(=O)[C@H]1CN(c2cnccn2)C(=O)[C@@H]1Cc1ccccc1
InChIInChI=1S/C20H20F2N4O3.C20H20N4O3.C19H20N4O3.CH4/c1-20(21,22)11-25-18(28)17(27)16-10-26(14-8-23-12-24-9-14)19(29)15(16)7-13-5-3-2-4-6-13;25-18(19(26)23-14-6-7-14)16-12-24(17-11-21-8-9-22-17)20(27)15(16)10-13-4-2-1-3-5-13;1-2-22-18(25)17(24)16-11-23(14-9-20-12-21-10-14)19(26)15(16)8-13-6-4-3-5-7-13;/h2-6,8-9,12,15-16H,7,10-11H2,1H3,(H,25,28);1-5,8-9,11,14-16H,6-7,10,12H2,(H,23,26);3-7,9-10,12,15-16H,2,8,11H2,1H3,(H,22,25);1H4/t3*15-,16+;/m111./s1
InChIKeyHZXJHSMXESXWDN-YWIWREDBSA-N
MW1135.24 g/mol
LogP4.42
Rot. Bonds19

About 2-[(3R,4R)-4-benzyl-5-oxo-1-pyrazin-2-ylpyrrolidin-3-yl]-N-cyclopropyl-2-oxoacetamide;2-[(3R,4R)-4-benzyl-5-oxo-1-pyrimidin-5-ylpyrrolidin-3-yl]-N-(2,2-difluoropropyl)-2-oxoacetamide;2-[(3R,4R)-4-benzyl-5-oxo-1-pyrimidin-5-ylpyrrolidin-3-yl]-N-ethyl-2-oxoacetamide;methane

2-[(3R,4R)-4-benzyl-5-oxo-1-pyrazin-2-ylpyrrolidin-3-yl]-N-cyclopropyl-2-oxoacetamide;2-[(3R,4R)-4-benzyl-5-oxo-1-pyrimidin-5-ylpyrrolidin-3-yl]-N-(2,2-difluoropropyl)-2-oxoacetamide;2-[(3R,4R)-4-benzyl-5-oxo-1-pyrimidin-5-ylpyrrolidin-3-yl]-N-ethyl-2-oxoacetamide;methane (PubChem CID 158637143) has the molecular formula C60H64F2N12O9 and a molecular weight of 1135.24 g/mol. Its IUPAC name is 2-[(3R,4R)-4-benzyl-5-oxo-1-pyrazin-2-ylpyrrolidin-3-yl]-N-cyclopropyl-2-oxoacetamide;2-[(3R,4R)-4-benzyl-5-oxo-1-pyrimidin-5-ylpyrrolidin-3-yl]-N-(2,2-difluoropropyl)-2-oxoacetamide;2-[(3R,4R)-4-benzyl-5-oxo-1-pyrimidin-5-ylpyrrolidin-3-yl]-N-ethyl-2-oxoacetamide;methane.

Molecular Properties

Compound Name2-[(3R,4R)-4-benzyl-5-oxo-1-pyrazin-2-ylpyrrolidin-3-yl]-N-cyclopropyl-2-oxoacetamide;2-[(3R,4R)-4-benzyl-5-oxo-1-pyrimidin-5-ylpyrrolidin-3-yl]-N-(2,2-difluoropropyl)-2-oxoacetamide;2-[(3R,4R)-4-benzyl-5-oxo-1-pyrimidin-5-ylpyrrolidin-3-yl]-N-ethyl-2-oxoacetamide;methane
PubChem CID158637143
Molecular FormulaC60H64F2N12O9
Molecular Weight1135.24 g/mol
Exact Mass1134.49
IUPAC Name2-[(3R,4R)-4-benzyl-5-oxo-1-pyrazin-2-ylpyrrolidin-3-yl]-N-cyclopropyl-2-oxoacetamide;2-[(3R,4R)-4-benzyl-5-oxo-1-pyrimidin-5-ylpyrrolidin-3-yl]-N-(2,2-difluoropropyl)-2-oxoacetamide;2-[(3R,4R)-4-benzyl-5-oxo-1-pyrimidin-5-ylpyrrolidin-3-yl]-N-ethyl-2-oxoacetamide;methane
SMILESC.CC(F)(F)CNC(=O)C(=O)[C@H]1CN(c2cncnc2)C(=O)[C@@H]1Cc1ccccc1.CCNC(=O)C(=O)[C@H]1CN(c2cncnc2)C(=O)[C@@H]1Cc1ccccc1.O=C(NC1CC1)C(=O)[C@H]1CN(c2cnccn2)C(=O)[C@@H]1Cc1ccccc1
InChIInChI=1S/C20H20F2N4O3.C20H20N4O3.C19H20N4O3.CH4/c1-20(21,22)11-25-18(28)17(27)16-10-26(14-8-23-12-24-9-14)19(29)15(16)7-13-5-3-2-4-6-13;25-18(19(26)23-14-6-7-14)16-12-24(17-11-21-8-9-22-17)20(27)15(16)10-13-4-2-1-3-5-13;1-2-22-18(25)17(24)16-11-23(14-9-20-12-21-10-14)19(26)15(16)8-13-6-4-3-5-7-13;/h2-6,8-9,12,15-16H,7,10-11H2,1H3,(H,25,28);1-5,8-9,11,14-16H,6-7,10,12H2,(H,23,26);3-7,9-10,12,15-16H,2,8,11H2,1H3,(H,22,25);1H4/t3*15-,16+;/m111./s1
InChIKeyHZXJHSMXESXWDN-YWIWREDBSA-N
XLogP4.42
TPSA276.78 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds19
Heavy Atoms83
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001135.24
LogP ≤ 54.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 2-[(3R,4R)-4-benzyl-5-oxo-1-pyrazin-2-ylpyrrolidin-3-yl]-N-cyclopropyl-2-oxoacetamide;2-[(3R,4R)-4-benzyl-5-oxo-1-pyrimidin-5-ylpyrrolidin-3-yl]-N-(2,2-difluoropropyl)-2-oxoacetamide;2-[(3R,4R)-4-benzyl-5-oxo-1-pyrimidin-5-ylpyrrolidin-3-yl]-N-ethyl-2-oxoacetamide;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4R)-4-benzyl-5-oxo-1-pyrazin-2-ylpyrrolidin-3-yl]-N-cyclopropyl-2-oxoacetamide;2-[(3R,4R)-4-benzyl-5-oxo-1-pyrimidin-5-ylpyrrolidin-3-yl]-N-(2,2-difluoropropyl)-2-oxoacetamide;2-[(3R,4R)-4-benzyl-5-oxo-1-pyrimidin-5-ylpyrrolidin-3-yl]-N-ethyl-2-oxoacetamide;methane?
The IUPAC name of 2-[(3R,4R)-4-benzyl-5-oxo-1-pyrazin-2-ylpyrrolidin-3-yl]-N-cyclopropyl-2-oxoacetamide;2-[(3R,4R)-4-benzyl-5-oxo-1-pyrimidin-5-ylpyrrolidin-3-yl]-N-(2,2-difluoropropyl)-2-oxoacetamide;2-[(3R,4R)-4-benzyl-5-oxo-1-pyrimidin-5-ylpyrrolidin-3-yl]-N-ethyl-2-oxoacetamide;methane (CID 158637143) is 2-[(3R,4R)-4-benzyl-5-oxo-1-pyrazin-2-ylpyrrolidin-3-yl]-N-cyclopropyl-2-oxoacetamide;2-[(3R,4R)-4-benzyl-5-oxo-1-pyrimidin-5-ylpyrrolidin-3-yl]-N-(2,2-difluoropropyl)-2-oxoacetamide;2-[(3R,4R)-4-benzyl-5-oxo-1-pyrimidin-5-ylpyrrolidin-3-yl]-N-ethyl-2-oxoacetamide;methane.
What is the SMILES notation for 2-[(3R,4R)-4-benzyl-5-oxo-1-pyrazin-2-ylpyrrolidin-3-yl]-N-cyclopropyl-2-oxoacetamide;2-[(3R,4R)-4-benzyl-5-oxo-1-pyrimidin-5-ylpyrrolidin-3-yl]-N-(2,2-difluoropropyl)-2-oxoacetamide;2-[(3R,4R)-4-benzyl-5-oxo-1-pyrimidin-5-ylpyrrolidin-3-yl]-N-ethyl-2-oxoacetamide;methane?
The canonical SMILES for 2-[(3R,4R)-4-benzyl-5-oxo-1-pyrazin-2-ylpyrrolidin-3-yl]-N-cyclopropyl-2-oxoacetamide;2-[(3R,4R)-4-benzyl-5-oxo-1-pyrimidin-5-ylpyrrolidin-3-yl]-N-(2,2-difluoropropyl)-2-oxoacetamide;2-[(3R,4R)-4-benzyl-5-oxo-1-pyrimidin-5-ylpyrrolidin-3-yl]-N-ethyl-2-oxoacetamide;methane is C.CC(F)(F)CNC(=O)C(=O)[C@H]1CN(c2cncnc2)C(=O)[C@@H]1Cc1ccccc1.CCNC(=O)C(=O)[C@H]1CN(c2cncnc2)C(=O)[C@@H]1Cc1ccccc1.O=C(NC1CC1)C(=O)[C@H]1CN(c2cnccn2)C(=O)[C@@H]1Cc1ccccc1.
What is the InChIKey of 2-[(3R,4R)-4-benzyl-5-oxo-1-pyrazin-2-ylpyrrolidin-3-yl]-N-cyclopropyl-2-oxoacetamide;2-[(3R,4R)-4-benzyl-5-oxo-1-pyrimidin-5-ylpyrrolidin-3-yl]-N-(2,2-difluoropropyl)-2-oxoacetamide;2-[(3R,4R)-4-benzyl-5-oxo-1-pyrimidin-5-ylpyrrolidin-3-yl]-N-ethyl-2-oxoacetamide;methane?
The InChIKey is HZXJHSMXESXWDN-YWIWREDBSA-N. The full InChI is InChI=1S/C20H20F2N4O3.C20H20N4O3.C19H20N4O3.CH4/c1-20(21,22)11-25-18(28)17(27)16-10-26(14-8-23-12-24-9-14)19(29)15(16)7-13-5-3-2-4-6-13;25-18(19(26)23-14-6-7-14)16-12-24(17-11-21-8-9-22-17)20(27)15(16)10-13-4-2-1-3-5-13;1-2-22-18(25)17(24)16-11-23(14-9-20-12-21-10-14)19(26)15(16)8-13-6-4-3-5-7-13;/h2-6,8-9,12,15-16H,7,10-11H2,1H3,(H,25,28);1-5,8-9,11,14-16H,6-7,10,12H2,(H,23,26);3-7,9-10,12,15-16H,2,8,11H2,1H3,(H,22,25);1H4/t3*15-,16+;/m111./s1.
What are the key properties of 2-[(3R,4R)-4-benzyl-5-oxo-1-pyrazin-2-ylpyrrolidin-3-yl]-N-cyclopropyl-2-oxoacetamide;2-[(3R,4R)-4-benzyl-5-oxo-1-pyrimidin-5-ylpyrrolidin-3-yl]-N-(2,2-difluoropropyl)-2-oxoacetamide;2-[(3R,4R)-4-benzyl-5-oxo-1-pyrimidin-5-ylpyrrolidin-3-yl]-N-ethyl-2-oxoacetamide;methane?
2-[(3R,4R)-4-benzyl-5-oxo-1-pyrazin-2-ylpyrrolidin-3-yl]-N-cyclopropyl-2-oxoacetamide;2-[(3R,4R)-4-benzyl-5-oxo-1-pyrimidin-5-ylpyrrolidin-3-yl]-N-(2,2-difluoropropyl)-2-oxoacetamide;2-[(3R,4R)-4-benzyl-5-oxo-1-pyrimidin-5-ylpyrrolidin-3-yl]-N-ethyl-2-oxoacetamide;methane has a molecular weight of 1135.24 g/mol, XLogP of 4.42, 19 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4R)-4-benzyl-5-oxo-1-pyrazin-2-ylpyrrolidin-3-yl]-N-cyclopropyl-2-oxoacetamide;2-[(3R,4R)-4-benzyl-5-oxo-1-pyrimidin-5-ylpyrrolidin-3-yl]-N-(2,2-difluoropropyl)-2-oxoacetamide;2-[(3R,4R)-4-benzyl-5-oxo-1-pyrimidin-5-ylpyrrolidin-3-yl]-N-ethyl-2-oxoacetamide;methane is sourced from PubChem (CID 158637143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).