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

C94H89ClF9N21O12 — CID 157346249

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

N-(5-chloro-2-fluoro-4-methylphenyl)-2-methyl-1-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-[3-(difluoromethyl)-4-methylphenyl]-1-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3,5-difluoro-4-methylphenyl)-1-[2-[(1-ethynylcyclopropyl)amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(2,5-difluoro-4-methylphenyl)-2-methyl-1-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide (PubChem CID 157346249) has the molecular formula C94H89ClF9N21O12 and a molecular weight of 1911.32 g/mol. Its IUPAC name is N-(5-chloro-2-fluoro-4-methylphenyl)-2-methyl-1-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-[3-(difluoromethyl)-4-methylphenyl]-1-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3,5-difluoro-4-methylphenyl)-1-[2-[(1-ethynylcyclopropyl)amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(2,5-difluoro-4-methylphenyl)-2-methyl-1-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide.

Molecular Properties

• Compound Name: N-(5-chloro-2-fluoro-4-methylphenyl)-2-methyl-1-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-[3-(difluoromethyl)-4-methylphenyl]-1-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3,5-difluoro-4-methylphenyl)-1-[2-[(1-ethynylcyclopropyl)amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(2,5-difluoro-4-methylphenyl)-2-methyl-1-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide
• PubChem CID: 157346249
• Molecular Formula: C94H89ClF9N21O12
• Molecular Weight: 1911.32 g/mol
• Exact Mass: 1909.65
• IUPAC Name: N-(5-chloro-2-fluoro-4-methylphenyl)-2-methyl-1-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-[3-(difluoromethyl)-4-methylphenyl]-1-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3,5-difluoro-4-methylphenyl)-1-[2-[(1-ethynylcyclopropyl)amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(2,5-difluoro-4-methylphenyl)-2-methyl-1-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide
• SMILES: C#CC1(NC(=O)C(=O)c2c(C)c(C(=O)Nc3cc(F)c(C)c(F)c3)n3c2CCC3)CC1.Cc1cc(F)c(NC(=O)c2c(C)c(C(=O)C(=O)NC3(c4cn[nH]n4)CC3)c3n2CCC3)cc1Cl.Cc1cc(F)c(NC(=O)c2c(C)c(C(=O)C(=O)NC3(c4cn[nH]n4)CC3)c3n2CCC3)cc1F.Cc1ccc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(c4cn[nH]n4)CC(F)(F)C3)c3n2CCC3)cc1C(F)F
• InChI: InChI=1S/C25H24F4N6O3.C23H22ClFN6O3.C23H22F2N6O3.C23H21F2N3O3/c1-12-5-6-14(8-15(12)21(26)27)31-22(37)19-13(2)18(16-4-3-7-35(16)19)20(36)23(38)32-24(10-25(28,29)11-24)17-9-30-34-33-17;2*1-11-8-14(25)15(9-13(11)24)27-21(33)19-12(2)18(16-4-3-7-31(16)19)20(32)22(34)28-23(5-6-23)17-10-26-30-29-17;1-4-23(7-8-23)27-22(31)20(29)18-13(3)19(28-9-5-6-17(18)28)21(30)26-14-10-15(24)12(2)16(25)11-14/h5-6,8-9,21H,3-4,7,10-11H2,1-2H3,(H,31,37)(H,32,38)(H,30,33,34);2*8-10H,3-7H2,1-2H3,(H,27,33)(H,28,34)(H,26,29,30);1,10-11H,5-9H2,2-3H3,(H,26,30)(H,27,31)
• InChIKey: BGZSPLFAGDSUBB-UHFFFAOYSA-N
• XLogP: 12.92
• TPSA: 445.51 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 22
• Rotatable Bonds: 24
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1911.32
LogP ≤ 5	12.92
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-(5-chloro-2-fluoro-4-methylphenyl)-2-methyl-1-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-[3-(difluoromethyl)-4-methylphenyl]-1-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3,5-difluoro-4-methylphenyl)-1-[2-[(1-ethynylcyclopropyl)amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(2,5-difluoro-4-methylphenyl)-2-methyl-1-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide (CID 157346249) is N-(5-chloro-2-fluoro-4-methylphenyl)-2-methyl-1-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-[3-(difluoromethyl)-4-methylphenyl]-1-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3,5-difluoro-4-methylphenyl)-1-[2-[(1-ethynylcyclopropyl)amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(2,5-difluoro-4-methylphenyl)-2-methyl-1-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide.

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

The canonical SMILES for N-(5-chloro-2-fluoro-4-methylphenyl)-2-methyl-1-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-[3-(difluoromethyl)-4-methylphenyl]-1-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3,5-difluoro-4-methylphenyl)-1-[2-[(1-ethynylcyclopropyl)amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(2,5-difluoro-4-methylphenyl)-2-methyl-1-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide is C#CC1(NC(=O)C(=O)c2c(C)c(C(=O)Nc3cc(F)c(C)c(F)c3)n3c2CCC3)CC1.Cc1cc(F)c(NC(=O)c2c(C)c(C(=O)C(=O)NC3(c4cn[nH]n4)CC3)c3n2CCC3)cc1Cl.Cc1cc(F)c(NC(=O)c2c(C)c(C(=O)C(=O)NC3(c4cn[nH]n4)CC3)c3n2CCC3)cc1F.Cc1ccc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(c4cn[nH]n4)CC(F)(F)C3)c3n2CCC3)cc1C(F)F.

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

The InChIKey is BGZSPLFAGDSUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F4N6O3.C23H22ClFN6O3.C23H22F2N6O3.C23H21F2N3O3/c1-12-5-6-14(8-15(12)21(26)27)31-22(37)19-13(2)18(16-4-3-7-35(16)19)20(36)23(38)32-24(10-25(28,29)11-24)17-9-30-34-33-17;2*1-11-8-14(25)15(9-13(11)24)27-21(33)19-12(2)18(16-4-3-7-31(16)19)20(32)22(34)28-23(5-6-23)17-10-26-30-29-17;1-4-23(7-8-23)27-22(31)20(29)18-13(3)19(28-9-5-6-17(18)28)21(30)26-14-10-15(24)12(2)16(25)11-14/h5-6,8-9,21H,3-4,7,10-11H2,1-2H3,(H,31,37)(H,32,38)(H,30,33,34);2*8-10H,3-7H2,1-2H3,(H,27,33)(H,28,34)(H,26,29,30);1,10-11H,5-9H2,2-3H3,(H,26,30)(H,27,31).

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

N-(5-chloro-2-fluoro-4-methylphenyl)-2-methyl-1-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-[3-(difluoromethyl)-4-methylphenyl]-1-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3,5-difluoro-4-methylphenyl)-1-[2-[(1-ethynylcyclopropyl)amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(2,5-difluoro-4-methylphenyl)-2-methyl-1-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide has a molecular weight of 1911.32 g/mol, XLogP of 12.92, 24 rotatable bonds, 11 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-chloro-2-fluoro-4-methylphenyl)-2-methyl-1-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-[3-(difluoromethyl)-4-methylphenyl]-1-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(3,5-difluoro-4-methylphenyl)-1-[2-[(1-ethynylcyclopropyl)amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide;N-(2,5-difluoro-4-methylphenyl)-2-methyl-1-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide is sourced from PubChem (CID 157346249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).