1-[2-[(3-carbamoyl-1-bicyclo[1.1.1]pentanyl)amino]-2-oxoacetyl]-N-(3-chloro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-1-[2-[(3-cyano-1-bicyclo[1.1.1]pentanyl)amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-2-methyl-1-[2-oxo-2-[(1-propanoylcyclopropyl)amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide;1-[2-[(3-cyano-1-bicyclo[1.1.1]pentanyl)amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;1-[2-[(3,3-difluoro-1-propanoylcyclobutyl)amino]-2-oxoacetyl]-N-[3-(1-fluoroethyl)phenyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide

C121H123Cl3F4N18O18 — CID 157115803

About 1-[2-[(3-carbamoyl-1-bicyclo[1.1.1]pentanyl)amino]-2-oxoacetyl]-N-(3-chloro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-1-[2-[(3-cyano-1-bicyclo[1.1.1]pentanyl)amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-2-methyl-1-[2-oxo-2-[(1-propanoylcyclopropyl)amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide;1-[2-[(3-cyano-1-bicyclo[1.1.1]pentanyl)amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;1-[2-[(3,3-difluoro-1-propanoylcyclobutyl)amino]-2-oxoacetyl]-N-[3-(1-fluoroethyl)phenyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide

1-[2-[(3-carbamoyl-1-bicyclo[1.1.1]pentanyl)amino]-2-oxoacetyl]-N-(3-chloro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-1-[2-[(3-cyano-1-bicyclo[1.1.1]pentanyl)amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-2-methyl-1-[2-oxo-2-[(1-propanoylcyclopropyl)amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide;1-[2-[(3-cyano-1-bicyclo[1.1.1]pentanyl)amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;1-[2-[(3,3-difluoro-1-propanoylcyclobutyl)amino]-2-oxoacetyl]-N-[3-(1-fluoroethyl)phenyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide (PubChem CID 157115803) has the molecular formula C121H123Cl3F4N18O18 and a molecular weight of 2299.77 g/mol. Its IUPAC name is 1-[2-[(3-carbamoyl-1-bicyclo[1.1.1]pentanyl)amino]-2-oxoacetyl]-N-(3-chloro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-1-[2-[(3-cyano-1-bicyclo[1.1.1]pentanyl)amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-2-methyl-1-[2-oxo-2-[(1-propanoylcyclopropyl)amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide;1-[2-[(3-cyano-1-bicyclo[1.1.1]pentanyl)amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;1-[2-[(3,3-difluoro-1-propanoylcyclobutyl)amino]-2-oxoacetyl]-N-[3-(1-fluoroethyl)phenyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[2-[(3-carbamoyl-1-bicyclo[1.1.1]pentanyl)amino]-2-oxoacetyl]-N-(3-chloro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-1-[2-[(3-cyano-1-bicyclo[1.1.1]pentanyl)amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-2-methyl-1-[2-oxo-2-[(1-propanoylcyclopropyl)amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide;1-[2-[(3-cyano-1-bicyclo[1.1.1]pentanyl)amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;1-[2-[(3,3-difluoro-1-propanoylcyclobutyl)amino]-2-oxoacetyl]-N-[3-(1-fluoroethyl)phenyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide
• PubChem CID: 157115803
• Molecular Formula: C121H123Cl3F4N18O18
• Molecular Weight: 2299.77 g/mol
• Exact Mass: 2296.83
• IUPAC Name: 1-[2-[(3-carbamoyl-1-bicyclo[1.1.1]pentanyl)amino]-2-oxoacetyl]-N-(3-chloro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-1-[2-[(3-cyano-1-bicyclo[1.1.1]pentanyl)amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-2-methyl-1-[2-oxo-2-[(1-propanoylcyclopropyl)amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide;1-[2-[(3-cyano-1-bicyclo[1.1.1]pentanyl)amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;1-[2-[(3,3-difluoro-1-propanoylcyclobutyl)amino]-2-oxoacetyl]-N-[3-(1-fluoroethyl)phenyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide
• SMILES: CCC(=O)C1(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(C)c(Cl)c3)n3c2CCC3)CC1.CCC(=O)C1(NC(=O)C(=O)c2cc(C(=O)Nc3cccc(C(C)F)c3)n3c2CCC3)CC(F)(F)C1.Cc1ccc(NC(=O)c2c(C)c(C(=O)C(=O)NC34CC(C#N)(C3)C4)c3n2CCC3)cc1Cl.Cc1ccc(NC(=O)c2c(C)c(C(=O)C(=O)NC34CC(C#N)(C3)C4)c3n2CCC3)cc1F.Cc1ccc(NC(=O)c2c(C)c(C(=O)C(=O)NC34CC(C(N)=O)(C3)C4)c3n2CCC3)cc1Cl
• InChI: InChI=1S/C25H26F3N3O4.C24H25ClN4O4.C24H23ClN4O3.C24H26ClN3O4.C24H23FN4O3/c1-3-20(32)24(12-25(27,28)13-24)30-23(35)21(33)17-11-19(31-9-5-8-18(17)31)22(34)29-16-7-4-6-15(10-16)14(2)26;1-12-5-6-14(8-15(12)25)27-20(31)18-13(2)17(16-4-3-7-29(16)18)19(30)21(32)28-24-9-23(10-24,11-24)22(26)33;1-13-5-6-15(8-16(13)25)27-21(31)19-14(2)18(17-4-3-7-29(17)19)20(30)22(32)28-24-9-23(10-24,11-24)12-26;1-4-18(29)24(9-10-24)27-23(32)21(30)19-14(3)20(28-11-5-6-17(19)28)22(31)26-15-8-7-13(2)16(25)12-15;1-13-5-6-15(8-16(13)25)27-21(31)19-14(2)18(17-4-3-7-29(17)19)20(30)22(32)28-24-9-23(10-24,11-24)12-26/h4,6-7,10-11,14H,3,5,8-9,12-13H2,1-2H3,(H,29,34)(H,30,35);5-6,8H,3-4,7,9-11H2,1-2H3,(H2,26,33)(H,27,31)(H,28,32);5-6,8H,3-4,7,9-11H2,1-2H3,(H,27,31)(H,28,32);7-8,12H,4-6,9-11H2,1-3H3,(H,26,31)(H,27,32);5-6,8H,3-4,7,9-11H2,1-2H3,(H,27,31)(H,28,32)
• InChIKey: AHJSDVNWRYUKPH-UHFFFAOYSA-N
• XLogP: 17.48
• TPSA: 525.81 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 25
• Rotatable Bonds: 31
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2299.77
LogP ≤ 5	17.48
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-carbamoyl-1-bicyclo[1.1.1]pentanyl)amino]-2-oxoacetyl]-N-(3-chloro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-1-[2-[(3-cyano-1-bicyclo[1.1.1]pentanyl)amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-2-methyl-1-[2-oxo-2-[(1-propanoylcyclopropyl)amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide;1-[2-[(3-cyano-1-bicyclo[1.1.1]pentanyl)amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;1-[2-[(3,3-difluoro-1-propanoylcyclobutyl)amino]-2-oxoacetyl]-N-[3-(1-fluoroethyl)phenyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide?

The IUPAC name of 1-[2-[(3-carbamoyl-1-bicyclo[1.1.1]pentanyl)amino]-2-oxoacetyl]-N-(3-chloro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-1-[2-[(3-cyano-1-bicyclo[1.1.1]pentanyl)amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-2-methyl-1-[2-oxo-2-[(1-propanoylcyclopropyl)amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide;1-[2-[(3-cyano-1-bicyclo[1.1.1]pentanyl)amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;1-[2-[(3,3-difluoro-1-propanoylcyclobutyl)amino]-2-oxoacetyl]-N-[3-(1-fluoroethyl)phenyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide (CID 157115803) is 1-[2-[(3-carbamoyl-1-bicyclo[1.1.1]pentanyl)amino]-2-oxoacetyl]-N-(3-chloro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-1-[2-[(3-cyano-1-bicyclo[1.1.1]pentanyl)amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-2-methyl-1-[2-oxo-2-[(1-propanoylcyclopropyl)amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide;1-[2-[(3-cyano-1-bicyclo[1.1.1]pentanyl)amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;1-[2-[(3,3-difluoro-1-propanoylcyclobutyl)amino]-2-oxoacetyl]-N-[3-(1-fluoroethyl)phenyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide.

What is the SMILES notation for 1-[2-[(3-carbamoyl-1-bicyclo[1.1.1]pentanyl)amino]-2-oxoacetyl]-N-(3-chloro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-1-[2-[(3-cyano-1-bicyclo[1.1.1]pentanyl)amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-2-methyl-1-[2-oxo-2-[(1-propanoylcyclopropyl)amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide;1-[2-[(3-cyano-1-bicyclo[1.1.1]pentanyl)amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;1-[2-[(3,3-difluoro-1-propanoylcyclobutyl)amino]-2-oxoacetyl]-N-[3-(1-fluoroethyl)phenyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide?

The canonical SMILES for 1-[2-[(3-carbamoyl-1-bicyclo[1.1.1]pentanyl)amino]-2-oxoacetyl]-N-(3-chloro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-1-[2-[(3-cyano-1-bicyclo[1.1.1]pentanyl)amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-2-methyl-1-[2-oxo-2-[(1-propanoylcyclopropyl)amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide;1-[2-[(3-cyano-1-bicyclo[1.1.1]pentanyl)amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;1-[2-[(3,3-difluoro-1-propanoylcyclobutyl)amino]-2-oxoacetyl]-N-[3-(1-fluoroethyl)phenyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide is CCC(=O)C1(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(C)c(Cl)c3)n3c2CCC3)CC1.CCC(=O)C1(NC(=O)C(=O)c2cc(C(=O)Nc3cccc(C(C)F)c3)n3c2CCC3)CC(F)(F)C1.Cc1ccc(NC(=O)c2c(C)c(C(=O)C(=O)NC34CC(C#N)(C3)C4)c3n2CCC3)cc1Cl.Cc1ccc(NC(=O)c2c(C)c(C(=O)C(=O)NC34CC(C#N)(C3)C4)c3n2CCC3)cc1F.Cc1ccc(NC(=O)c2c(C)c(C(=O)C(=O)NC34CC(C(N)=O)(C3)C4)c3n2CCC3)cc1Cl.

What is the InChIKey of 1-[2-[(3-carbamoyl-1-bicyclo[1.1.1]pentanyl)amino]-2-oxoacetyl]-N-(3-chloro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-1-[2-[(3-cyano-1-bicyclo[1.1.1]pentanyl)amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-2-methyl-1-[2-oxo-2-[(1-propanoylcyclopropyl)amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide;1-[2-[(3-cyano-1-bicyclo[1.1.1]pentanyl)amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;1-[2-[(3,3-difluoro-1-propanoylcyclobutyl)amino]-2-oxoacetyl]-N-[3-(1-fluoroethyl)phenyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide?

The InChIKey is AHJSDVNWRYUKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N3O4.C24H25ClN4O4.C24H23ClN4O3.C24H26ClN3O4.C24H23FN4O3/c1-3-20(32)24(12-25(27,28)13-24)30-23(35)21(33)17-11-19(31-9-5-8-18(17)31)22(34)29-16-7-4-6-15(10-16)14(2)26;1-12-5-6-14(8-15(12)25)27-20(31)18-13(2)17(16-4-3-7-29(16)18)19(30)21(32)28-24-9-23(10-24,11-24)22(26)33;1-13-5-6-15(8-16(13)25)27-21(31)19-14(2)18(17-4-3-7-29(17)19)20(30)22(32)28-24-9-23(10-24,11-24)12-26;1-4-18(29)24(9-10-24)27-23(32)21(30)19-14(3)20(28-11-5-6-17(19)28)22(31)26-15-8-7-13(2)16(25)12-15;1-13-5-6-15(8-16(13)25)27-21(31)19-14(2)18(17-4-3-7-29(17)19)20(30)22(32)28-24-9-23(10-24,11-24)12-26/h4,6-7,10-11,14H,3,5,8-9,12-13H2,1-2H3,(H,29,34)(H,30,35);5-6,8H,3-4,7,9-11H2,1-2H3,(H2,26,33)(H,27,31)(H,28,32);5-6,8H,3-4,7,9-11H2,1-2H3,(H,27,31)(H,28,32);7-8,12H,4-6,9-11H2,1-3H3,(H,26,31)(H,27,32);5-6,8H,3-4,7,9-11H2,1-2H3,(H,27,31)(H,28,32).

What are the key properties of 1-[2-[(3-carbamoyl-1-bicyclo[1.1.1]pentanyl)amino]-2-oxoacetyl]-N-(3-chloro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-1-[2-[(3-cyano-1-bicyclo[1.1.1]pentanyl)amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-2-methyl-1-[2-oxo-2-[(1-propanoylcyclopropyl)amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide;1-[2-[(3-cyano-1-bicyclo[1.1.1]pentanyl)amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;1-[2-[(3,3-difluoro-1-propanoylcyclobutyl)amino]-2-oxoacetyl]-N-[3-(1-fluoroethyl)phenyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide?

1-[2-[(3-carbamoyl-1-bicyclo[1.1.1]pentanyl)amino]-2-oxoacetyl]-N-(3-chloro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-1-[2-[(3-cyano-1-bicyclo[1.1.1]pentanyl)amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-2-methyl-1-[2-oxo-2-[(1-propanoylcyclopropyl)amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide;1-[2-[(3-cyano-1-bicyclo[1.1.1]pentanyl)amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;1-[2-[(3,3-difluoro-1-propanoylcyclobutyl)amino]-2-oxoacetyl]-N-[3-(1-fluoroethyl)phenyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide has a molecular weight of 2299.77 g/mol, XLogP of 17.48, 31 rotatable bonds, 11 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[(3-carbamoyl-1-bicyclo[1.1.1]pentanyl)amino]-2-oxoacetyl]-N-(3-chloro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-1-[2-[(3-cyano-1-bicyclo[1.1.1]pentanyl)amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-2-methyl-1-[2-oxo-2-[(1-propanoylcyclopropyl)amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide;1-[2-[(3-cyano-1-bicyclo[1.1.1]pentanyl)amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;1-[2-[(3,3-difluoro-1-propanoylcyclobutyl)amino]-2-oxoacetyl]-N-[3-(1-fluoroethyl)phenyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide is sourced from PubChem (CID 157115803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).