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

C95H95F10N19O14S — CID 158459116

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

3-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-N-[3-(difluoromethyl)-4-methylphenyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-N-(3,5-difluoro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3-fluoro-4-methylphenyl)-2-methyl-3-[2-oxo-2-[[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3-fluoro-4-methylphenyl)-2-methyl-3-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide (PubChem CID 158459116) has the molecular formula C95H95F10N19O14S and a molecular weight of 1948.97 g/mol. Its IUPAC name is 3-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-N-[3-(difluoromethyl)-4-methylphenyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-N-(3,5-difluoro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3-fluoro-4-methylphenyl)-2-methyl-3-[2-oxo-2-[[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3-fluoro-4-methylphenyl)-2-methyl-3-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide.

Molecular Properties

• Compound Name: 3-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-N-[3-(difluoromethyl)-4-methylphenyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-N-(3,5-difluoro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3-fluoro-4-methylphenyl)-2-methyl-3-[2-oxo-2-[[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3-fluoro-4-methylphenyl)-2-methyl-3-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide
• PubChem CID: 158459116
• Molecular Formula: C95H95F10N19O14S
• Molecular Weight: 1948.97 g/mol
• Exact Mass: 1947.69
• IUPAC Name: 3-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-N-[3-(difluoromethyl)-4-methylphenyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-N-(3,5-difluoro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3-fluoro-4-methylphenyl)-2-methyl-3-[2-oxo-2-[[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3-fluoro-4-methylphenyl)-2-methyl-3-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide
• SMILES: CNC(=O)C1(NC(=O)C(=O)c2c(C)c(C(=O)Nc3cc(F)c(C)c(F)c3)c3n2CCC3)CC(F)(F)C1.CNC(=O)C1(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(C)c(C(F)F)c3)c3n2CCC3)CC(F)(F)C1.Cc1ccc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(c4cn[nH]n4)CC3)n3c2CCC3)cc1F.Cc1ccc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(c4nncs4)CC3)n3c2CCC3)cc1F
• InChI: InChI=1S/C25H26F4N4O4.C24H24F4N4O4.C23H23FN6O3.C23H22FN5O3S/c1-12-6-7-14(9-15(12)20(26)27)31-21(35)17-13(2)18(33-8-4-5-16(17)33)19(34)22(36)32-24(23(37)30-3)10-25(28,29)11-24;1-11-14(25)7-13(8-15(11)26)30-20(34)17-12(2)18(32-6-4-5-16(17)32)19(33)21(35)31-23(22(36)29-3)9-24(27,28)10-23;1-12-5-6-14(10-15(12)24)26-21(32)18-13(2)19(30-9-3-4-16(18)30)20(31)22(33)27-23(7-8-23)17-11-25-29-28-17;1-12-5-6-14(10-15(12)24)26-20(31)17-13(2)18(29-9-3-4-16(17)29)19(30)21(32)27-23(7-8-23)22-28-25-11-33-22/h6-7,9,20H,4-5,8,10-11H2,1-3H3,(H,30,37)(H,31,35)(H,32,36);7-8H,4-6,9-10H2,1-3H3,(H,29,36)(H,30,34)(H,31,35);5-6,10-11H,3-4,7-9H2,1-2H3,(H,26,32)(H,27,33)(H,25,28,29);5-6,10-11H,3-4,7-9H2,1-2H3,(H,26,31)(H,27,32)
• InChIKey: HEYHUFRYBGCJRS-UHFFFAOYSA-N
• XLogP: 12.08
• TPSA: 446.35 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 23
• Rotatable Bonds: 25
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1948.97
LogP ≤ 5	12.08
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	23

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

The IUPAC name of 3-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-N-[3-(difluoromethyl)-4-methylphenyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-N-(3,5-difluoro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3-fluoro-4-methylphenyl)-2-methyl-3-[2-oxo-2-[[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3-fluoro-4-methylphenyl)-2-methyl-3-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide (CID 158459116) is 3-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-N-[3-(difluoromethyl)-4-methylphenyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-N-(3,5-difluoro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3-fluoro-4-methylphenyl)-2-methyl-3-[2-oxo-2-[[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3-fluoro-4-methylphenyl)-2-methyl-3-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide.

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

The canonical SMILES for 3-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-N-[3-(difluoromethyl)-4-methylphenyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-N-(3,5-difluoro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3-fluoro-4-methylphenyl)-2-methyl-3-[2-oxo-2-[[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3-fluoro-4-methylphenyl)-2-methyl-3-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide is CNC(=O)C1(NC(=O)C(=O)c2c(C)c(C(=O)Nc3cc(F)c(C)c(F)c3)c3n2CCC3)CC(F)(F)C1.CNC(=O)C1(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(C)c(C(F)F)c3)c3n2CCC3)CC(F)(F)C1.Cc1ccc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(c4cn[nH]n4)CC3)n3c2CCC3)cc1F.Cc1ccc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(c4nncs4)CC3)n3c2CCC3)cc1F.

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

The InChIKey is HEYHUFRYBGCJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F4N4O4.C24H24F4N4O4.C23H23FN6O3.C23H22FN5O3S/c1-12-6-7-14(9-15(12)20(26)27)31-21(35)17-13(2)18(33-8-4-5-16(17)33)19(34)22(36)32-24(23(37)30-3)10-25(28,29)11-24;1-11-14(25)7-13(8-15(11)26)30-20(34)17-12(2)18(32-6-4-5-16(17)32)19(33)21(35)31-23(22(36)29-3)9-24(27,28)10-23;1-12-5-6-14(10-15(12)24)26-21(32)18-13(2)19(30-9-3-4-16(18)30)20(31)22(33)27-23(7-8-23)17-11-25-29-28-17;1-12-5-6-14(10-15(12)24)26-20(31)17-13(2)18(29-9-3-4-16(17)29)19(30)21(32)27-23(7-8-23)22-28-25-11-33-22/h6-7,9,20H,4-5,8,10-11H2,1-3H3,(H,30,37)(H,31,35)(H,32,36);7-8H,4-6,9-10H2,1-3H3,(H,29,36)(H,30,34)(H,31,35);5-6,10-11H,3-4,7-9H2,1-2H3,(H,26,32)(H,27,33)(H,25,28,29);5-6,10-11H,3-4,7-9H2,1-2H3,(H,26,31)(H,27,32).

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

3-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-N-[3-(difluoromethyl)-4-methylphenyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-N-(3,5-difluoro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3-fluoro-4-methylphenyl)-2-methyl-3-[2-oxo-2-[[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3-fluoro-4-methylphenyl)-2-methyl-3-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide has a molecular weight of 1948.97 g/mol, XLogP of 12.08, 25 rotatable bonds, 11 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-N-[3-(difluoromethyl)-4-methylphenyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-N-(3,5-difluoro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3-fluoro-4-methylphenyl)-2-methyl-3-[2-oxo-2-[[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3-fluoro-4-methylphenyl)-2-methyl-3-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide is sourced from PubChem (CID 158459116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).