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

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

bis(2-[4-benzyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-5-oxopyrrolidin-3-yl]-N-cyclopropyl-2-oxoacetamide);2-(1-benzyl-5-oxo-4-phenylpyrrolidin-3-yl)-N-cyclopropyl-2-oxoacetamide;2-(4-benzyl-5-oxo-1-pyrimidin-5-ylpyrrolidin-3-yl)-N-(2,2-difluoropropyl)-2-oxoacetamide (PubChem CID 159048007) has the molecular formula C82H88F2N16O12 and a molecular weight of 1527.70 g/mol. Its IUPAC name is bis(2-[4-benzyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-5-oxopyrrolidin-3-yl]-N-cyclopropyl-2-oxoacetamide);2-(1-benzyl-5-oxo-4-phenylpyrrolidin-3-yl)-N-cyclopropyl-2-oxoacetamide;2-(4-benzyl-5-oxo-1-pyrimidin-5-ylpyrrolidin-3-yl)-N-(2,2-difluoropropyl)-2-oxoacetamide.

Molecular Properties

Compound Name	bis(2-[4-benzyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-5-oxopyrrolidin-3-yl]-N-cyclopropyl-2-oxoacetamide);2-(1-benzyl-5-oxo-4-phenylpyrrolidin-3-yl)-N-cyclopropyl-2-oxoacetamide;2-(4-benzyl-5-oxo-1-pyrimidin-5-ylpyrrolidin-3-yl)-N-(2,2-difluoropropyl)-2-oxoacetamide
PubChem CID	159048007
Molecular Formula	C82H88F2N16O12
Molecular Weight	1527.70 g/mol
Exact Mass	1526.67
IUPAC Name	bis(2-[4-benzyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-5-oxopyrrolidin-3-yl]-N-cyclopropyl-2-oxoacetamide);2-(1-benzyl-5-oxo-4-phenylpyrrolidin-3-yl)-N-cyclopropyl-2-oxoacetamide;2-(4-benzyl-5-oxo-1-pyrimidin-5-ylpyrrolidin-3-yl)-N-(2,2-difluoropropyl)-2-oxoacetamide
SMILES	CC(F)(F)CNC(=O)C(=O)C1CN(c2cncnc2)C(=O)C1Cc1ccccc1.Cn1ncnc1CN1CC(C(=O)C(=O)NC2CC2)C(Cc2ccccc2)C1=O.Cn1ncnc1CN1CC(C(=O)C(=O)NC2CC2)C(Cc2ccccc2)C1=O.O=C(NC1CC1)C(=O)C1CN(Cc2ccccc2)C(=O)C1c1ccccc1
InChI	InChI=1S/C22H22N2O3.C20H20F2N4O3.2C20H23N5O3/c25-20(21(26)23-17-11-12-17)18-14-24(13-15-7-3-1-4-8-15)22(27)19(18)16-9-5-2-6-10-16;1-20(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;21-24-17(21-12-22-24)11-25-10-16(18(26)19(27)23-14-7-8-14)15(20(25)28)9-13-5-3-2-4-6-13/h1-10,17-19H,11-14H2,(H,23,26);2-6,8-9,12,15-16H,7,10-11H2,1H3,(H,25,28);22-6,12,14-16H,7-11H2,1H3,(H,23,27)
InChIKey	JWXASELIJHGINR-UHFFFAOYSA-N
XLogP	4.88
TPSA	353.12 Å²
H-Bond Donors	4
H-Bond Acceptors	20
Rotatable Bonds	27
Heavy Atoms	112
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1527.70
LogP ≤ 5	4.88
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

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

The IUPAC name of bis(2-[4-benzyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-5-oxopyrrolidin-3-yl]-N-cyclopropyl-2-oxoacetamide);2-(1-benzyl-5-oxo-4-phenylpyrrolidin-3-yl)-N-cyclopropyl-2-oxoacetamide;2-(4-benzyl-5-oxo-1-pyrimidin-5-ylpyrrolidin-3-yl)-N-(2,2-difluoropropyl)-2-oxoacetamide (CID 159048007) is bis(2-[4-benzyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-5-oxopyrrolidin-3-yl]-N-cyclopropyl-2-oxoacetamide);2-(1-benzyl-5-oxo-4-phenylpyrrolidin-3-yl)-N-cyclopropyl-2-oxoacetamide;2-(4-benzyl-5-oxo-1-pyrimidin-5-ylpyrrolidin-3-yl)-N-(2,2-difluoropropyl)-2-oxoacetamide.

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

The canonical SMILES for bis(2-[4-benzyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-5-oxopyrrolidin-3-yl]-N-cyclopropyl-2-oxoacetamide);2-(1-benzyl-5-oxo-4-phenylpyrrolidin-3-yl)-N-cyclopropyl-2-oxoacetamide;2-(4-benzyl-5-oxo-1-pyrimidin-5-ylpyrrolidin-3-yl)-N-(2,2-difluoropropyl)-2-oxoacetamide is CC(F)(F)CNC(=O)C(=O)C1CN(c2cncnc2)C(=O)C1Cc1ccccc1.Cn1ncnc1CN1CC(C(=O)C(=O)NC2CC2)C(Cc2ccccc2)C1=O.Cn1ncnc1CN1CC(C(=O)C(=O)NC2CC2)C(Cc2ccccc2)C1=O.O=C(NC1CC1)C(=O)C1CN(Cc2ccccc2)C(=O)C1c1ccccc1.

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

The InChIKey is JWXASELIJHGINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3.C20H20F2N4O3.2C20H23N5O3/c25-20(21(26)23-17-11-12-17)18-14-24(13-15-7-3-1-4-8-15)22(27)19(18)16-9-5-2-6-10-16;1-20(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;2*1-24-17(21-12-22-24)11-25-10-16(18(26)19(27)23-14-7-8-14)15(20(25)28)9-13-5-3-2-4-6-13/h1-10,17-19H,11-14H2,(H,23,26);2-6,8-9,12,15-16H,7,10-11H2,1H3,(H,25,28);2*2-6,12,14-16H,7-11H2,1H3,(H,23,27).

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

Where does this data come from?

All data for bis(2-[4-benzyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-5-oxopyrrolidin-3-yl]-N-cyclopropyl-2-oxoacetamide);2-(1-benzyl-5-oxo-4-phenylpyrrolidin-3-yl)-N-cyclopropyl-2-oxoacetamide;2-(4-benzyl-5-oxo-1-pyrimidin-5-ylpyrrolidin-3-yl)-N-(2,2-difluoropropyl)-2-oxoacetamide is sourced from PubChem (CID 159048007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).