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)-1-[2-[[3,3-difluoro-1-(hydroxymethyl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-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]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;1-[2-[(3,3-difluoro-1-propanoylcyclobutyl)amino]-2-oxoacetyl]-N-[4-fluoro-3-(1-fluoroethyl)phenyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide

C123H125Cl2F10N17O18 — CID 159924693

About 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)-1-[2-[[3,3-difluoro-1-(hydroxymethyl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-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]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;1-[2-[(3,3-difluoro-1-propanoylcyclobutyl)amino]-2-oxoacetyl]-N-[4-fluoro-3-(1-fluoroethyl)phenyl]-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)-1-[2-[[3,3-difluoro-1-(hydroxymethyl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-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]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;1-[2-[(3,3-difluoro-1-propanoylcyclobutyl)amino]-2-oxoacetyl]-N-[4-fluoro-3-(1-fluoroethyl)phenyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide (PubChem CID 159924693) has the molecular formula C123H125Cl2F10N17O18 and a molecular weight of 2390.34 g/mol. Its IUPAC name is 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)-1-[2-[[3,3-difluoro-1-(hydroxymethyl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-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]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;1-[2-[(3,3-difluoro-1-propanoylcyclobutyl)amino]-2-oxoacetyl]-N-[4-fluoro-3-(1-fluoroethyl)phenyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide.

Molecular Properties

• Compound Name: 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)-1-[2-[[3,3-difluoro-1-(hydroxymethyl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-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]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;1-[2-[(3,3-difluoro-1-propanoylcyclobutyl)amino]-2-oxoacetyl]-N-[4-fluoro-3-(1-fluoroethyl)phenyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide
• PubChem CID: 159924693
• Molecular Formula: C123H125Cl2F10N17O18
• Molecular Weight: 2390.34 g/mol
• Exact Mass: 2387.86
• IUPAC Name: 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)-1-[2-[[3,3-difluoro-1-(hydroxymethyl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-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]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;1-[2-[(3,3-difluoro-1-propanoylcyclobutyl)amino]-2-oxoacetyl]-N-[4-fluoro-3-(1-fluoroethyl)phenyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide
• SMILES: CCC(=O)C1(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(F)c(C(C)F)c3)n3c2CCC3)CC(F)(F)C1.CCC(=O)C1(NC(=O)C(=O)c2c(C)c(C(=O)Nc3cccc(C(C)F)c3)n3c2CCC3)CC(F)(F)C1.Cc1ccc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(CO)CC(F)(F)C3)c3n2CCC3)cc1Cl.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
• InChI: InChI=1S/C26H27F4N3O4.C26H28F3N3O4.C24H23ClN4O3.C24H23FN4O3.C23H24ClF2N3O4/c1-4-19(34)25(11-26(29,30)12-25)32-24(37)22(35)20-13(2)21(33-9-5-6-18(20)33)23(36)31-15-7-8-17(28)16(10-15)14(3)27;1-4-19(33)25(12-26(28,29)13-25)31-24(36)22(34)20-14(2)21(32-10-6-9-18(20)32)23(35)30-17-8-5-7-16(11-17)15(3)27;2*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;1-12-5-6-14(8-15(12)24)27-20(32)18-13(2)17(16-4-3-7-29(16)18)19(31)21(33)28-22(11-30)9-23(25,26)10-22/h7-8,10,14H,4-6,9,11-12H2,1-3H3,(H,31,36)(H,32,37);5,7-8,11,15H,4,6,9-10,12-13H2,1-3H3,(H,30,35)(H,31,36);2*5-6,8H,3-4,7,9-11H2,1-2H3,(H,27,31)(H,28,32);5-6,8,30H,3-4,7,9-11H2,1-2H3,(H,27,32)(H,28,33)
• InChIKey: NYVYMZOVVYISOS-UHFFFAOYSA-N
• XLogP: 19.39
• TPSA: 502.95 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 25
• Rotatable Bonds: 32
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2390.34
LogP ≤ 5	19.39
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 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)-1-[2-[[3,3-difluoro-1-(hydroxymethyl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-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]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;1-[2-[(3,3-difluoro-1-propanoylcyclobutyl)amino]-2-oxoacetyl]-N-[4-fluoro-3-(1-fluoroethyl)phenyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide?

The IUPAC name of 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)-1-[2-[[3,3-difluoro-1-(hydroxymethyl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-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]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;1-[2-[(3,3-difluoro-1-propanoylcyclobutyl)amino]-2-oxoacetyl]-N-[4-fluoro-3-(1-fluoroethyl)phenyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide (CID 159924693) is 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)-1-[2-[[3,3-difluoro-1-(hydroxymethyl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-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]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;1-[2-[(3,3-difluoro-1-propanoylcyclobutyl)amino]-2-oxoacetyl]-N-[4-fluoro-3-(1-fluoroethyl)phenyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide.

What is the SMILES notation for 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)-1-[2-[[3,3-difluoro-1-(hydroxymethyl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-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]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;1-[2-[(3,3-difluoro-1-propanoylcyclobutyl)amino]-2-oxoacetyl]-N-[4-fluoro-3-(1-fluoroethyl)phenyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide?

The canonical SMILES for 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)-1-[2-[[3,3-difluoro-1-(hydroxymethyl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-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]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;1-[2-[(3,3-difluoro-1-propanoylcyclobutyl)amino]-2-oxoacetyl]-N-[4-fluoro-3-(1-fluoroethyl)phenyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide is CCC(=O)C1(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(F)c(C(C)F)c3)n3c2CCC3)CC(F)(F)C1.CCC(=O)C1(NC(=O)C(=O)c2c(C)c(C(=O)Nc3cccc(C(C)F)c3)n3c2CCC3)CC(F)(F)C1.Cc1ccc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(CO)CC(F)(F)C3)c3n2CCC3)cc1Cl.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.

What is the InChIKey of 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)-1-[2-[[3,3-difluoro-1-(hydroxymethyl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-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]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;1-[2-[(3,3-difluoro-1-propanoylcyclobutyl)amino]-2-oxoacetyl]-N-[4-fluoro-3-(1-fluoroethyl)phenyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide?

The InChIKey is NYVYMZOVVYISOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F4N3O4.C26H28F3N3O4.C24H23ClN4O3.C24H23FN4O3.C23H24ClF2N3O4/c1-4-19(34)25(11-26(29,30)12-25)32-24(37)22(35)20-13(2)21(33-9-5-6-18(20)33)23(36)31-15-7-8-17(28)16(10-15)14(3)27;1-4-19(33)25(12-26(28,29)13-25)31-24(36)22(34)20-14(2)21(32-10-6-9-18(20)32)23(35)30-17-8-5-7-16(11-17)15(3)27;2*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;1-12-5-6-14(8-15(12)24)27-20(32)18-13(2)17(16-4-3-7-29(16)18)19(31)21(33)28-22(11-30)9-23(25,26)10-22/h7-8,10,14H,4-6,9,11-12H2,1-3H3,(H,31,36)(H,32,37);5,7-8,11,15H,4,6,9-10,12-13H2,1-3H3,(H,30,35)(H,31,36);2*5-6,8H,3-4,7,9-11H2,1-2H3,(H,27,31)(H,28,32);5-6,8,30H,3-4,7,9-11H2,1-2H3,(H,27,32)(H,28,33).

What are the key properties of 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)-1-[2-[[3,3-difluoro-1-(hydroxymethyl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-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]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;1-[2-[(3,3-difluoro-1-propanoylcyclobutyl)amino]-2-oxoacetyl]-N-[4-fluoro-3-(1-fluoroethyl)phenyl]-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)-1-[2-[[3,3-difluoro-1-(hydroxymethyl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-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]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;1-[2-[(3,3-difluoro-1-propanoylcyclobutyl)amino]-2-oxoacetyl]-N-[4-fluoro-3-(1-fluoroethyl)phenyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide has a molecular weight of 2390.34 g/mol, XLogP of 19.39, 32 rotatable bonds, 11 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 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)-1-[2-[[3,3-difluoro-1-(hydroxymethyl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-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]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;1-[2-[(3,3-difluoro-1-propanoylcyclobutyl)amino]-2-oxoacetyl]-N-[4-fluoro-3-(1-fluoroethyl)phenyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide is sourced from PubChem (CID 159924693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).