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

C95H95ClF8N18O14S2 — CID 159915396

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

3-[2-[(1-carbamoyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-N-[3-(difluoromethyl)-4-methylphenyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3-chloro-4-methylphenyl)-3-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-[3-(difluoromethyl)-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;2-methyl-N-(4-methylphenyl)-3-[2-oxo-2-[[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide (PubChem CID 159915396) has the molecular formula C95H95ClF8N18O14S2 and a molecular weight of 1964.49 g/mol. Its IUPAC name is 3-[2-[(1-carbamoyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-N-[3-(difluoromethyl)-4-methylphenyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3-chloro-4-methylphenyl)-3-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-[3-(difluoromethyl)-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;2-methyl-N-(4-methylphenyl)-3-[2-oxo-2-[[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide.

Molecular Properties

• Compound Name: 3-[2-[(1-carbamoyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-N-[3-(difluoromethyl)-4-methylphenyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3-chloro-4-methylphenyl)-3-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-[3-(difluoromethyl)-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;2-methyl-N-(4-methylphenyl)-3-[2-oxo-2-[[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide
• PubChem CID: 159915396
• Molecular Formula: C95H95ClF8N18O14S2
• Molecular Weight: 1964.49 g/mol
• Exact Mass: 1962.63
• IUPAC Name: 3-[2-[(1-carbamoyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-N-[3-(difluoromethyl)-4-methylphenyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3-chloro-4-methylphenyl)-3-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-[3-(difluoromethyl)-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;2-methyl-N-(4-methylphenyl)-3-[2-oxo-2-[[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]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(Cl)c3)c3n2CCC3)CC(F)(F)C1.Cc1ccc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(C(N)=O)CC(F)(F)C3)n3c2CCC3)cc1C(F)F.Cc1ccc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(c4nncs4)CC3)n3c2CCC3)cc1.Cc1ccc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(c4nncs4)CC3)n3c2CCC3)cc1C(F)F
• InChI: InChI=1S/C24H25ClF2N4O4.C24H24F4N4O4.C24H23F2N5O3S.C23H23N5O3S/c1-12-6-7-14(9-15(12)25)29-20(33)17-13(2)18(31-8-4-5-16(17)31)19(32)21(34)30-23(22(35)28-3)10-24(26,27)11-23;1-11-5-6-13(8-14(11)19(25)26)30-20(34)16-12(2)17(32-7-3-4-15(16)32)18(33)21(35)31-23(22(29)36)9-24(27,28)10-23;1-12-5-6-14(10-15(12)20(25)26)28-21(33)17-13(2)18(31-9-3-4-16(17)31)19(32)22(34)29-24(7-8-24)23-30-27-11-35-23;1-13-5-7-15(8-6-13)25-20(30)17-14(2)18(28-11-3-4-16(17)28)19(29)21(31)26-23(9-10-23)22-27-24-12-32-22/h6-7,9H,4-5,8,10-11H2,1-3H3,(H,28,35)(H,29,33)(H,30,34);5-6,8,19H,3-4,7,9-10H2,1-2H3,(H2,29,36)(H,30,34)(H,31,35);5-6,10-11,20H,3-4,7-9H2,1-2H3,(H,28,33)(H,29,34);5-8,12H,3-4,9-11H2,1-2H3,(H,25,30)(H,26,31)
• InChIKey: NXSGOKJMBGKEQZ-UHFFFAOYSA-N
• XLogP: 13.59
• TPSA: 444.55 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 24
• Rotatable Bonds: 26
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1964.49
LogP ≤ 5	13.59
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 3-[2-[(1-carbamoyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-N-[3-(difluoromethyl)-4-methylphenyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3-chloro-4-methylphenyl)-3-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-[3-(difluoromethyl)-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;2-methyl-N-(4-methylphenyl)-3-[2-oxo-2-[[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide (CID 159915396) is 3-[2-[(1-carbamoyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-N-[3-(difluoromethyl)-4-methylphenyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3-chloro-4-methylphenyl)-3-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-[3-(difluoromethyl)-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;2-methyl-N-(4-methylphenyl)-3-[2-oxo-2-[[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide.

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

The canonical SMILES for 3-[2-[(1-carbamoyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-N-[3-(difluoromethyl)-4-methylphenyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3-chloro-4-methylphenyl)-3-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-[3-(difluoromethyl)-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;2-methyl-N-(4-methylphenyl)-3-[2-oxo-2-[[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]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(Cl)c3)c3n2CCC3)CC(F)(F)C1.Cc1ccc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(C(N)=O)CC(F)(F)C3)n3c2CCC3)cc1C(F)F.Cc1ccc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(c4nncs4)CC3)n3c2CCC3)cc1.Cc1ccc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(c4nncs4)CC3)n3c2CCC3)cc1C(F)F.

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

The InChIKey is NXSGOKJMBGKEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClF2N4O4.C24H24F4N4O4.C24H23F2N5O3S.C23H23N5O3S/c1-12-6-7-14(9-15(12)25)29-20(33)17-13(2)18(31-8-4-5-16(17)31)19(32)21(34)30-23(22(35)28-3)10-24(26,27)11-23;1-11-5-6-13(8-14(11)19(25)26)30-20(34)16-12(2)17(32-7-3-4-15(16)32)18(33)21(35)31-23(22(29)36)9-24(27,28)10-23;1-12-5-6-14(10-15(12)20(25)26)28-21(33)17-13(2)18(31-9-3-4-16(17)31)19(32)22(34)29-24(7-8-24)23-30-27-11-35-23;1-13-5-7-15(8-6-13)25-20(30)17-14(2)18(28-11-3-4-16(17)28)19(29)21(31)26-23(9-10-23)22-27-24-12-32-22/h6-7,9H,4-5,8,10-11H2,1-3H3,(H,28,35)(H,29,33)(H,30,34);5-6,8,19H,3-4,7,9-10H2,1-2H3,(H2,29,36)(H,30,34)(H,31,35);5-6,10-11,20H,3-4,7-9H2,1-2H3,(H,28,33)(H,29,34);5-8,12H,3-4,9-11H2,1-2H3,(H,25,30)(H,26,31).

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

3-[2-[(1-carbamoyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-N-[3-(difluoromethyl)-4-methylphenyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3-chloro-4-methylphenyl)-3-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-[3-(difluoromethyl)-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;2-methyl-N-(4-methylphenyl)-3-[2-oxo-2-[[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide has a molecular weight of 1964.49 g/mol, XLogP of 13.59, 26 rotatable bonds, 10 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[(1-carbamoyl-3,3-difluorocyclobutyl)amino]-2-oxoacetyl]-N-[3-(difluoromethyl)-4-methylphenyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3-chloro-4-methylphenyl)-3-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-[3-(difluoromethyl)-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;2-methyl-N-(4-methylphenyl)-3-[2-oxo-2-[[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide is sourced from PubChem (CID 159915396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).