N-(3-chloro-4-methylphenyl)-1-[2-[[3,3-difluoro-1-(3-fluoroazetidine-1-carbonyl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;(6R)-N-(3-chloro-4-methylphenyl)-1-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-6-hydroxy-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-1-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-2,5,5-trimethyl-6,7-dihydropyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-2-methyl-1-[2-oxo-2-[[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide

C99H102Cl4F7N17O16S — CID 158879705

About N-(3-chloro-4-methylphenyl)-1-[2-[[3,3-difluoro-1-(3-fluoroazetidine-1-carbonyl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;(6R)-N-(3-chloro-4-methylphenyl)-1-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-6-hydroxy-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-1-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-2,5,5-trimethyl-6,7-dihydropyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-2-methyl-1-[2-oxo-2-[[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide

N-(3-chloro-4-methylphenyl)-1-[2-[[3,3-difluoro-1-(3-fluoroazetidine-1-carbonyl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;(6R)-N-(3-chloro-4-methylphenyl)-1-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-6-hydroxy-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-1-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-2,5,5-trimethyl-6,7-dihydropyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-2-methyl-1-[2-oxo-2-[[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide (PubChem CID 158879705) has the molecular formula C99H102Cl4F7N17O16S and a molecular weight of 2092.87 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-1-[2-[[3,3-difluoro-1-(3-fluoroazetidine-1-carbonyl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;(6R)-N-(3-chloro-4-methylphenyl)-1-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-6-hydroxy-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-1-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-2,5,5-trimethyl-6,7-dihydropyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-2-methyl-1-[2-oxo-2-[[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide.

Molecular Properties

• Compound Name: N-(3-chloro-4-methylphenyl)-1-[2-[[3,3-difluoro-1-(3-fluoroazetidine-1-carbonyl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;(6R)-N-(3-chloro-4-methylphenyl)-1-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-6-hydroxy-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-1-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-2,5,5-trimethyl-6,7-dihydropyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-2-methyl-1-[2-oxo-2-[[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide
• PubChem CID: 158879705
• Molecular Formula: C99H102Cl4F7N17O16S
• Molecular Weight: 2092.87 g/mol
• Exact Mass: 2089.61
• IUPAC Name: N-(3-chloro-4-methylphenyl)-1-[2-[[3,3-difluoro-1-(3-fluoroazetidine-1-carbonyl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;(6R)-N-(3-chloro-4-methylphenyl)-1-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-6-hydroxy-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-1-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-2,5,5-trimethyl-6,7-dihydropyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-2-methyl-1-[2-oxo-2-[[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide
• SMILES: CNC(=O)C1(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(C)c(Cl)c3)n3c2CCC3(C)C)CC(F)(F)C1.CNC(=O)C1(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(C)c(Cl)c3)n3c2C[C@@H](O)C3)CC(F)(F)C1.Cc1ccc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(C(=O)N4CC(F)C4)CC(F)(F)C3)c3n2CCC3)cc1Cl.Cc1ccc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(c4nncs4)CC3)c3n2CCC3)cc1Cl
• InChI: InChI=1S/C26H26ClF3N4O4.C26H29ClF2N4O4.C24H25ClF2N4O5.C23H22ClN5O3S/c1-13-5-6-16(8-17(13)27)31-22(36)20-14(2)19(18-4-3-7-34(18)20)21(35)23(37)32-25(11-26(29,30)12-25)24(38)33-9-15(28)10-33;1-13-6-7-15(10-16(13)27)31-21(35)19-14(2)18(17-8-9-24(3,4)33(17)19)20(34)22(36)32-25(23(37)30-5)11-26(28,29)12-25;1-11-4-5-13(6-15(11)25)29-20(34)18-12(2)17(16-7-14(32)8-31(16)18)19(33)21(35)30-23(22(36)28-3)9-24(26,27)10-23;1-12-5-6-14(10-15(12)24)26-20(31)18-13(2)17(16-4-3-9-29(16)18)19(30)21(32)27-23(7-8-23)22-28-25-11-33-22/h5-6,8,15H,3-4,7,9-12H2,1-2H3,(H,31,36)(H,32,37);6-7,10H,8-9,11-12H2,1-5H3,(H,30,37)(H,31,35)(H,32,36);4-6,14,32H,7-10H2,1-3H3,(H,28,36)(H,29,34)(H,30,35);5-6,10-11H,3-4,7-9H2,1-2H3,(H,26,31)(H,27,32)/t;;14-;/m..1./s1
• InChIKey: JCWNFVYSJRFHRG-PIXPJRFFSA-N
• XLogP: 13.45
• TPSA: 445.32 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 23
• Rotatable Bonds: 24
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2092.87
LogP ≤ 5	13.45
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 N-(3-chloro-4-methylphenyl)-1-[2-[[3,3-difluoro-1-(3-fluoroazetidine-1-carbonyl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;(6R)-N-(3-chloro-4-methylphenyl)-1-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-6-hydroxy-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-1-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-2,5,5-trimethyl-6,7-dihydropyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-2-methyl-1-[2-oxo-2-[[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide?

The IUPAC name of N-(3-chloro-4-methylphenyl)-1-[2-[[3,3-difluoro-1-(3-fluoroazetidine-1-carbonyl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;(6R)-N-(3-chloro-4-methylphenyl)-1-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-6-hydroxy-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-1-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-2,5,5-trimethyl-6,7-dihydropyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-2-methyl-1-[2-oxo-2-[[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide (CID 158879705) is N-(3-chloro-4-methylphenyl)-1-[2-[[3,3-difluoro-1-(3-fluoroazetidine-1-carbonyl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;(6R)-N-(3-chloro-4-methylphenyl)-1-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-6-hydroxy-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-1-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-2,5,5-trimethyl-6,7-dihydropyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-2-methyl-1-[2-oxo-2-[[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide.

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

The canonical SMILES for N-(3-chloro-4-methylphenyl)-1-[2-[[3,3-difluoro-1-(3-fluoroazetidine-1-carbonyl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;(6R)-N-(3-chloro-4-methylphenyl)-1-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-6-hydroxy-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-1-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-2,5,5-trimethyl-6,7-dihydropyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-2-methyl-1-[2-oxo-2-[[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide is CNC(=O)C1(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(C)c(Cl)c3)n3c2CCC3(C)C)CC(F)(F)C1.CNC(=O)C1(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(C)c(Cl)c3)n3c2C[C@@H](O)C3)CC(F)(F)C1.Cc1ccc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(C(=O)N4CC(F)C4)CC(F)(F)C3)c3n2CCC3)cc1Cl.Cc1ccc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(c4nncs4)CC3)c3n2CCC3)cc1Cl.

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

The InChIKey is JCWNFVYSJRFHRG-PIXPJRFFSA-N. The full InChI is InChI=1S/C26H26ClF3N4O4.C26H29ClF2N4O4.C24H25ClF2N4O5.C23H22ClN5O3S/c1-13-5-6-16(8-17(13)27)31-22(36)20-14(2)19(18-4-3-7-34(18)20)21(35)23(37)32-25(11-26(29,30)12-25)24(38)33-9-15(28)10-33;1-13-6-7-15(10-16(13)27)31-21(35)19-14(2)18(17-8-9-24(3,4)33(17)19)20(34)22(36)32-25(23(37)30-5)11-26(28,29)12-25;1-11-4-5-13(6-15(11)25)29-20(34)18-12(2)17(16-7-14(32)8-31(16)18)19(33)21(35)30-23(22(36)28-3)9-24(26,27)10-23;1-12-5-6-14(10-15(12)24)26-20(31)18-13(2)17(16-4-3-9-29(16)18)19(30)21(32)27-23(7-8-23)22-28-25-11-33-22/h5-6,8,15H,3-4,7,9-12H2,1-2H3,(H,31,36)(H,32,37);6-7,10H,8-9,11-12H2,1-5H3,(H,30,37)(H,31,35)(H,32,36);4-6,14,32H,7-10H2,1-3H3,(H,28,36)(H,29,34)(H,30,35);5-6,10-11H,3-4,7-9H2,1-2H3,(H,26,31)(H,27,32)/t;;14-;/m..1./s1.

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

N-(3-chloro-4-methylphenyl)-1-[2-[[3,3-difluoro-1-(3-fluoroazetidine-1-carbonyl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;(6R)-N-(3-chloro-4-methylphenyl)-1-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-6-hydroxy-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-1-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-2,5,5-trimethyl-6,7-dihydropyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-2-methyl-1-[2-oxo-2-[[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide has a molecular weight of 2092.87 g/mol, XLogP of 13.45, 24 rotatable bonds, 11 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-chloro-4-methylphenyl)-1-[2-[[3,3-difluoro-1-(3-fluoroazetidine-1-carbonyl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;(6R)-N-(3-chloro-4-methylphenyl)-1-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-6-hydroxy-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-1-[2-[[3,3-difluoro-1-(methylcarbamoyl)cyclobutyl]amino]-2-oxoacetyl]-2,5,5-trimethyl-6,7-dihydropyrrolizine-3-carboxamide;N-(3-chloro-4-methylphenyl)-2-methyl-1-[2-oxo-2-[[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide is sourced from PubChem (CID 158879705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).