3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-[4-fluoro-3-(1-fluoroethyl)phenyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3-fluoro-4-methylphenyl)-2-methyl-3-[2-[[3-(methylcarbamoyl)oxetan-3-yl]amino]-2-oxoacetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3-fluoro-4-methylphenyl)-2-methyl-3-[2-oxo-2-[[3-(2H-triazol-4-yl)oxetan-3-yl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide

C95H95F9N22O15 — CID 159936174

About 3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-[4-fluoro-3-(1-fluoroethyl)phenyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3-fluoro-4-methylphenyl)-2-methyl-3-[2-[[3-(methylcarbamoyl)oxetan-3-yl]amino]-2-oxoacetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3-fluoro-4-methylphenyl)-2-methyl-3-[2-oxo-2-[[3-(2H-triazol-4-yl)oxetan-3-yl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide

3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-[4-fluoro-3-(1-fluoroethyl)phenyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3-fluoro-4-methylphenyl)-2-methyl-3-[2-[[3-(methylcarbamoyl)oxetan-3-yl]amino]-2-oxoacetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3-fluoro-4-methylphenyl)-2-methyl-3-[2-oxo-2-[[3-(2H-triazol-4-yl)oxetan-3-yl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide (PubChem CID 159936174) has the molecular formula C95H95F9N22O15 and a molecular weight of 1955.93 g/mol. Its IUPAC name is 3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-[4-fluoro-3-(1-fluoroethyl)phenyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3-fluoro-4-methylphenyl)-2-methyl-3-[2-[[3-(methylcarbamoyl)oxetan-3-yl]amino]-2-oxoacetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3-fluoro-4-methylphenyl)-2-methyl-3-[2-oxo-2-[[3-(2H-triazol-4-yl)oxetan-3-yl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide.

Molecular Properties

• Compound Name: 3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-[4-fluoro-3-(1-fluoroethyl)phenyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3-fluoro-4-methylphenyl)-2-methyl-3-[2-[[3-(methylcarbamoyl)oxetan-3-yl]amino]-2-oxoacetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3-fluoro-4-methylphenyl)-2-methyl-3-[2-oxo-2-[[3-(2H-triazol-4-yl)oxetan-3-yl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide
• PubChem CID: 159936174
• Molecular Formula: C95H95F9N22O15
• Molecular Weight: 1955.93 g/mol
• Exact Mass: 1954.72
• IUPAC Name: 3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-[4-fluoro-3-(1-fluoroethyl)phenyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3-fluoro-4-methylphenyl)-2-methyl-3-[2-[[3-(methylcarbamoyl)oxetan-3-yl]amino]-2-oxoacetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3-fluoro-4-methylphenyl)-2-methyl-3-[2-oxo-2-[[3-(2H-triazol-4-yl)oxetan-3-yl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide
• SMILES: CNC(=O)C1(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(C)c(F)c3)c3n2CCC3)COC1.Cc1c(C(=O)Nc2ccc(F)c(C(C)F)c2)c2n(c1C(=O)C(=O)NC1(c3cn[nH]n3)CC(F)(F)C1)CCC2.Cc1ccc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(c4cn[nH]n4)CC(F)(F)C3)n3c2CCC3)cc1F.Cc1ccc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(c4cn[nH]n4)COC3)n3c2CCC3)cc1F
• InChI: InChI=1S/C25H24F4N6O3.C24H23F3N6O3.C23H23FN6O4.C23H25FN4O5/c1-12-19(22(37)31-14-5-6-16(27)15(8-14)13(2)26)17-4-3-7-35(17)20(12)21(36)23(38)32-24(10-25(28,29)11-24)18-9-30-34-33-18;1-12-5-6-14(8-15(12)25)29-21(35)18-13(2)19(33-7-3-4-16(18)33)20(34)22(36)30-23(10-24(26,27)11-23)17-9-28-32-31-17;1-12-5-6-14(8-15(12)24)26-21(32)18-13(2)19(30-7-3-4-16(18)30)20(31)22(33)27-23(10-34-11-23)17-9-25-29-28-17;1-12-6-7-14(9-15(12)24)26-20(30)17-13(2)18(28-8-4-5-16(17)28)19(29)21(31)27-23(10-33-11-23)22(32)25-3/h5-6,8-9,13H,3-4,7,10-11H2,1-2H3,(H,31,37)(H,32,38)(H,30,33,34);5-6,8-9H,3-4,7,10-11H2,1-2H3,(H,29,35)(H,30,36)(H,28,31,32);5-6,8-9H,3-4,7,10-11H2,1-2H3,(H,26,32)(H,27,33)(H,25,28,29);6-7,9H,4-5,8,10-11H2,1-3H3,(H,25,32)(H,26,30)(H,27,31)
• InChIKey: OAGXEJSMUPQJBX-UHFFFAOYSA-N
• XLogP: 10.13
• TPSA: 493.07 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 25
• Rotatable Bonds: 25
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1955.93
LogP ≤ 5	10.13
H-Bond Donors ≤ 5	12
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 3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-[4-fluoro-3-(1-fluoroethyl)phenyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3-fluoro-4-methylphenyl)-2-methyl-3-[2-[[3-(methylcarbamoyl)oxetan-3-yl]amino]-2-oxoacetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3-fluoro-4-methylphenyl)-2-methyl-3-[2-oxo-2-[[3-(2H-triazol-4-yl)oxetan-3-yl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide?

The IUPAC name of 3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-[4-fluoro-3-(1-fluoroethyl)phenyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3-fluoro-4-methylphenyl)-2-methyl-3-[2-[[3-(methylcarbamoyl)oxetan-3-yl]amino]-2-oxoacetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3-fluoro-4-methylphenyl)-2-methyl-3-[2-oxo-2-[[3-(2H-triazol-4-yl)oxetan-3-yl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide (CID 159936174) is 3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-[4-fluoro-3-(1-fluoroethyl)phenyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3-fluoro-4-methylphenyl)-2-methyl-3-[2-[[3-(methylcarbamoyl)oxetan-3-yl]amino]-2-oxoacetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3-fluoro-4-methylphenyl)-2-methyl-3-[2-oxo-2-[[3-(2H-triazol-4-yl)oxetan-3-yl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide.

What is the SMILES notation for 3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-[4-fluoro-3-(1-fluoroethyl)phenyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3-fluoro-4-methylphenyl)-2-methyl-3-[2-[[3-(methylcarbamoyl)oxetan-3-yl]amino]-2-oxoacetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3-fluoro-4-methylphenyl)-2-methyl-3-[2-oxo-2-[[3-(2H-triazol-4-yl)oxetan-3-yl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide?

The canonical SMILES for 3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-[4-fluoro-3-(1-fluoroethyl)phenyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3-fluoro-4-methylphenyl)-2-methyl-3-[2-[[3-(methylcarbamoyl)oxetan-3-yl]amino]-2-oxoacetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3-fluoro-4-methylphenyl)-2-methyl-3-[2-oxo-2-[[3-(2H-triazol-4-yl)oxetan-3-yl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide is CNC(=O)C1(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(C)c(F)c3)c3n2CCC3)COC1.Cc1c(C(=O)Nc2ccc(F)c(C(C)F)c2)c2n(c1C(=O)C(=O)NC1(c3cn[nH]n3)CC(F)(F)C1)CCC2.Cc1ccc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(c4cn[nH]n4)CC(F)(F)C3)n3c2CCC3)cc1F.Cc1ccc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(c4cn[nH]n4)COC3)n3c2CCC3)cc1F.

What is the InChIKey of 3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-[4-fluoro-3-(1-fluoroethyl)phenyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3-fluoro-4-methylphenyl)-2-methyl-3-[2-[[3-(methylcarbamoyl)oxetan-3-yl]amino]-2-oxoacetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3-fluoro-4-methylphenyl)-2-methyl-3-[2-oxo-2-[[3-(2H-triazol-4-yl)oxetan-3-yl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide?

The InChIKey is OAGXEJSMUPQJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F4N6O3.C24H23F3N6O3.C23H23FN6O4.C23H25FN4O5/c1-12-19(22(37)31-14-5-6-16(27)15(8-14)13(2)26)17-4-3-7-35(17)20(12)21(36)23(38)32-24(10-25(28,29)11-24)18-9-30-34-33-18;1-12-5-6-14(8-15(12)25)29-21(35)18-13(2)19(33-7-3-4-16(18)33)20(34)22(36)30-23(10-24(26,27)11-23)17-9-28-32-31-17;1-12-5-6-14(8-15(12)24)26-21(32)18-13(2)19(30-7-3-4-16(18)30)20(31)22(33)27-23(10-34-11-23)17-9-25-29-28-17;1-12-6-7-14(9-15(12)24)26-20(30)17-13(2)18(28-8-4-5-16(17)28)19(29)21(31)27-23(10-33-11-23)22(32)25-3/h5-6,8-9,13H,3-4,7,10-11H2,1-2H3,(H,31,37)(H,32,38)(H,30,33,34);5-6,8-9H,3-4,7,10-11H2,1-2H3,(H,29,35)(H,30,36)(H,28,31,32);5-6,8-9H,3-4,7,10-11H2,1-2H3,(H,26,32)(H,27,33)(H,25,28,29);6-7,9H,4-5,8,10-11H2,1-3H3,(H,25,32)(H,26,30)(H,27,31).

What are the key properties of 3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-[4-fluoro-3-(1-fluoroethyl)phenyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3-fluoro-4-methylphenyl)-2-methyl-3-[2-[[3-(methylcarbamoyl)oxetan-3-yl]amino]-2-oxoacetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3-fluoro-4-methylphenyl)-2-methyl-3-[2-oxo-2-[[3-(2H-triazol-4-yl)oxetan-3-yl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide?

3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-[4-fluoro-3-(1-fluoroethyl)phenyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3-fluoro-4-methylphenyl)-2-methyl-3-[2-[[3-(methylcarbamoyl)oxetan-3-yl]amino]-2-oxoacetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3-fluoro-4-methylphenyl)-2-methyl-3-[2-oxo-2-[[3-(2H-triazol-4-yl)oxetan-3-yl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide has a molecular weight of 1955.93 g/mol, XLogP of 10.13, 25 rotatable bonds, 12 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-[4-fluoro-3-(1-fluoroethyl)phenyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3-fluoro-4-methylphenyl)-2-methyl-3-[2-[[3-(methylcarbamoyl)oxetan-3-yl]amino]-2-oxoacetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3-fluoro-4-methylphenyl)-2-methyl-3-[2-oxo-2-[[3-(2H-triazol-4-yl)oxetan-3-yl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide is sourced from PubChem (CID 159936174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).