1-[2-[(1-carbamoyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-N-(3,5-difluoro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-1-[2-[(1-cyano-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;1-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoethyl]-N-[3-fluoro-2-(1-fluoroethyl)-4-pyridinyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;(6R)-1-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-6-fluoro-N-[3-fluoro-2-(1-fluoroethyl)-4-pyridinyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide

C94H92ClF15N20O13 — CID 158190221

About 1-[2-[(1-carbamoyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-N-(3,5-difluoro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-1-[2-[(1-cyano-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;1-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoethyl]-N-[3-fluoro-2-(1-fluoroethyl)-4-pyridinyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;(6R)-1-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-6-fluoro-N-[3-fluoro-2-(1-fluoroethyl)-4-pyridinyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide

1-[2-[(1-carbamoyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-N-(3,5-difluoro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-1-[2-[(1-cyano-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;1-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoethyl]-N-[3-fluoro-2-(1-fluoroethyl)-4-pyridinyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;(6R)-1-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-6-fluoro-N-[3-fluoro-2-(1-fluoroethyl)-4-pyridinyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide (PubChem CID 158190221) has the molecular formula C94H92ClF15N20O13 and a molecular weight of 2030.32 g/mol. Its IUPAC name is 1-[2-[(1-carbamoyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-N-(3,5-difluoro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-1-[2-[(1-cyano-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;1-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoethyl]-N-[3-fluoro-2-(1-fluoroethyl)-4-pyridinyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;(6R)-1-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-6-fluoro-N-[3-fluoro-2-(1-fluoroethyl)-4-pyridinyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[2-[(1-carbamoyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-N-(3,5-difluoro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-1-[2-[(1-cyano-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;1-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoethyl]-N-[3-fluoro-2-(1-fluoroethyl)-4-pyridinyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;(6R)-1-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-6-fluoro-N-[3-fluoro-2-(1-fluoroethyl)-4-pyridinyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide
• PubChem CID: 158190221
• Molecular Formula: C94H92ClF15N20O13
• Molecular Weight: 2030.32 g/mol
• Exact Mass: 2028.66
• IUPAC Name: 1-[2-[(1-carbamoyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-N-(3,5-difluoro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-1-[2-[(1-cyano-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;1-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoethyl]-N-[3-fluoro-2-(1-fluoroethyl)-4-pyridinyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;(6R)-1-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-6-fluoro-N-[3-fluoro-2-(1-fluoroethyl)-4-pyridinyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide
• SMILES: CNC(=O)C1(NC(=O)Cc2c(C)c(C(=O)Nc3ccnc(C(C)F)c3F)n3c2CCC3)CC(F)(F)C1.Cc1c(C(=O)C(=O)NC2(c3cn[nH]n3)CC(F)(F)C2)c2n(c1C(=O)Nc1ccnc(C(C)F)c1F)C[C@H](F)C2.Cc1c(F)cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(C(N)=O)CC(F)(F)C3)c3n2CCC3)cc1F.Cc1ccc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(C#N)CC(F)(F)C3)c3n2CCC3)cc1Cl
• InChI: InChI=1S/C24H22F5N7O3.C24H27F4N5O3.C23H21ClF2N4O3.C23H22F4N4O4/c1-10-16(20(37)22(39)33-23(8-24(28,29)9-23)15-6-31-35-34-15)14-5-12(26)7-36(14)19(10)21(38)32-13-3-4-30-18(11(2)25)17(13)27;1-12-14(9-17(34)32-23(22(36)29-3)10-24(27,28)11-23)16-5-4-8-33(16)20(12)21(35)31-15-6-7-30-19(13(2)25)18(15)26;1-12-5-6-14(8-15(12)24)28-20(32)18-13(2)17(16-4-3-7-30(16)18)19(31)21(33)29-22(11-27)9-23(25,26)10-22;1-10-13(24)6-12(7-14(10)25)29-19(33)17-11(2)16(15-4-3-5-31(15)17)18(32)20(34)30-22(21(28)35)8-23(26,27)9-22/h3-4,6,11-12H,5,7-9H2,1-2H3,(H,33,39)(H,30,32,38)(H,31,34,35);6-7,13H,4-5,8-11H2,1-3H3,(H,29,36)(H,32,34)(H,30,31,35);5-6,8H,3-4,7,9-10H2,1-2H3,(H,28,32)(H,29,33);6-7H,3-5,8-9H2,1-2H3,(H2,28,35)(H,29,33)(H,30,34)/t11?,12-;;;/m1.../s1
• InChIKey: FZQUFWQBLDKXLM-MYOOBKTRSA-N
• XLogP: 12.86
• TPSA: 467.06 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 22
• Rotatable Bonds: 25
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2030.32
LogP ≤ 5	12.86
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1-carbamoyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-N-(3,5-difluoro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-1-[2-[(1-cyano-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;1-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoethyl]-N-[3-fluoro-2-(1-fluoroethyl)-4-pyridinyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;(6R)-1-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-6-fluoro-N-[3-fluoro-2-(1-fluoroethyl)-4-pyridinyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide?

The IUPAC name of 1-[2-[(1-carbamoyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-N-(3,5-difluoro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-1-[2-[(1-cyano-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;1-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoethyl]-N-[3-fluoro-2-(1-fluoroethyl)-4-pyridinyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;(6R)-1-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-6-fluoro-N-[3-fluoro-2-(1-fluoroethyl)-4-pyridinyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide (CID 158190221) is 1-[2-[(1-carbamoyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-N-(3,5-difluoro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-1-[2-[(1-cyano-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;1-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoethyl]-N-[3-fluoro-2-(1-fluoroethyl)-4-pyridinyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;(6R)-1-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-6-fluoro-N-[3-fluoro-2-(1-fluoroethyl)-4-pyridinyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide.

What is the SMILES notation for 1-[2-[(1-carbamoyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-N-(3,5-difluoro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-1-[2-[(1-cyano-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;1-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoethyl]-N-[3-fluoro-2-(1-fluoroethyl)-4-pyridinyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;(6R)-1-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-6-fluoro-N-[3-fluoro-2-(1-fluoroethyl)-4-pyridinyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide?

The canonical SMILES for 1-[2-[(1-carbamoyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-N-(3,5-difluoro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-1-[2-[(1-cyano-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;1-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoethyl]-N-[3-fluoro-2-(1-fluoroethyl)-4-pyridinyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;(6R)-1-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-6-fluoro-N-[3-fluoro-2-(1-fluoroethyl)-4-pyridinyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide is CNC(=O)C1(NC(=O)Cc2c(C)c(C(=O)Nc3ccnc(C(C)F)c3F)n3c2CCC3)CC(F)(F)C1.Cc1c(C(=O)C(=O)NC2(c3cn[nH]n3)CC(F)(F)C2)c2n(c1C(=O)Nc1ccnc(C(C)F)c1F)C[C@H](F)C2.Cc1c(F)cc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(C(N)=O)CC(F)(F)C3)c3n2CCC3)cc1F.Cc1ccc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(C#N)CC(F)(F)C3)c3n2CCC3)cc1Cl.

What is the InChIKey of 1-[2-[(1-carbamoyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-N-(3,5-difluoro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-1-[2-[(1-cyano-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;1-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoethyl]-N-[3-fluoro-2-(1-fluoroethyl)-4-pyridinyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;(6R)-1-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-6-fluoro-N-[3-fluoro-2-(1-fluoroethyl)-4-pyridinyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide?

The InChIKey is FZQUFWQBLDKXLM-MYOOBKTRSA-N. The full InChI is InChI=1S/C24H22F5N7O3.C24H27F4N5O3.C23H21ClF2N4O3.C23H22F4N4O4/c1-10-16(20(37)22(39)33-23(8-24(28,29)9-23)15-6-31-35-34-15)14-5-12(26)7-36(14)19(10)21(38)32-13-3-4-30-18(11(2)25)17(13)27;1-12-14(9-17(34)32-23(22(36)29-3)10-24(27,28)11-23)16-5-4-8-33(16)20(12)21(35)31-15-6-7-30-19(13(2)25)18(15)26;1-12-5-6-14(8-15(12)24)28-20(32)18-13(2)17(16-4-3-7-30(16)18)19(31)21(33)29-22(11-27)9-23(25,26)10-22;1-10-13(24)6-12(7-14(10)25)29-19(33)17-11(2)16(15-4-3-5-31(15)17)18(32)20(34)30-22(21(28)35)8-23(26,27)9-22/h3-4,6,11-12H,5,7-9H2,1-2H3,(H,33,39)(H,30,32,38)(H,31,34,35);6-7,13H,4-5,8-11H2,1-3H3,(H,29,36)(H,32,34)(H,30,31,35);5-6,8H,3-4,7,9-10H2,1-2H3,(H,28,32)(H,29,33);6-7H,3-5,8-9H2,1-2H3,(H2,28,35)(H,29,33)(H,30,34)/t11?,12-;;;/m1.../s1.

What are the key properties of 1-[2-[(1-carbamoyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-N-(3,5-difluoro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-1-[2-[(1-cyano-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;1-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoethyl]-N-[3-fluoro-2-(1-fluoroethyl)-4-pyridinyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;(6R)-1-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-6-fluoro-N-[3-fluoro-2-(1-fluoroethyl)-4-pyridinyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide?

1-[2-[(1-carbamoyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-N-(3,5-difluoro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-1-[2-[(1-cyano-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;1-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoethyl]-N-[3-fluoro-2-(1-fluoroethyl)-4-pyridinyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;(6R)-1-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-6-fluoro-N-[3-fluoro-2-(1-fluoroethyl)-4-pyridinyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide has a molecular weight of 2030.32 g/mol, XLogP of 12.86, 25 rotatable bonds, 11 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[(1-carbamoyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-N-(3,5-difluoro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-1-[2-[(1-cyano-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;1-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoethyl]-N-[3-fluoro-2-(1-fluoroethyl)-4-pyridinyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;(6R)-1-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-6-fluoro-N-[3-fluoro-2-(1-fluoroethyl)-4-pyridinyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide is sourced from PubChem (CID 158190221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).