About 2-chloro-N-[3-(difluoromethyl)-4-methylphenyl]-3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;2-chloro-N-[3-(difluoromethyl)-4-methylphenyl]-3-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;2-chloro-3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-6,7-dihydro-5H-pyrrolizine-1-carboxamide;2-chloro-N-(3-fluoro-4-methylphenyl)-3-[2-oxo-2-[[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;2-chloro-N-(3-fluoro-4-methylphenyl)-3-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide
2-chloro-N-[3-(difluoromethyl)-4-methylphenyl]-3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;2-chloro-N-[3-(difluoromethyl)-4-methylphenyl]-3-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;2-chloro-3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-6,7-dihydro-5H-pyrrolizine-1-carboxamide;2-chloro-N-(3-fluoro-4-methylphenyl)-3-[2-oxo-2-[[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;2-chloro-N-(3-fluoro-4-methylphenyl)-3-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide (PubChem CID 158539657) has the molecular formula C114H101Cl5F11N29O15S
and a molecular weight of 2535.56 g/mol. Its IUPAC name is 2-chloro-N-[3-(difluoromethyl)-4-methylphenyl]-3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;2-chloro-N-[3-(difluoromethyl)-4-methylphenyl]-3-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;2-chloro-3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-6,7-dihydro-5H-pyrrolizine-1-carboxamide;2-chloro-N-(3-fluoro-4-methylphenyl)-3-[2-oxo-2-[[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;2-chloro-N-(3-fluoro-4-methylphenyl)-3-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide.
Frequently Asked Questions
What is the IUPAC name of 2-chloro-N-[3-(difluoromethyl)-4-methylphenyl]-3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;2-chloro-N-[3-(difluoromethyl)-4-methylphenyl]-3-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;2-chloro-3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-6,7-dihydro-5H-pyrrolizine-1-carboxamide;2-chloro-N-(3-fluoro-4-methylphenyl)-3-[2-oxo-2-[[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;2-chloro-N-(3-fluoro-4-methylphenyl)-3-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide?
The IUPAC name of 2-chloro-N-[3-(difluoromethyl)-4-methylphenyl]-3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;2-chloro-N-[3-(difluoromethyl)-4-methylphenyl]-3-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;2-chloro-3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-6,7-dihydro-5H-pyrrolizine-1-carboxamide;2-chloro-N-(3-fluoro-4-methylphenyl)-3-[2-oxo-2-[[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;2-chloro-N-(3-fluoro-4-methylphenyl)-3-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide (CID 158539657) is 2-chloro-N-[3-(difluoromethyl)-4-methylphenyl]-3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;2-chloro-N-[3-(difluoromethyl)-4-methylphenyl]-3-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;2-chloro-3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-6,7-dihydro-5H-pyrrolizine-1-carboxamide;2-chloro-N-(3-fluoro-4-methylphenyl)-3-[2-oxo-2-[[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;2-chloro-N-(3-fluoro-4-methylphenyl)-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 2-chloro-N-[3-(difluoromethyl)-4-methylphenyl]-3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;2-chloro-N-[3-(difluoromethyl)-4-methylphenyl]-3-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;2-chloro-3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-6,7-dihydro-5H-pyrrolizine-1-carboxamide;2-chloro-N-(3-fluoro-4-methylphenyl)-3-[2-oxo-2-[[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;2-chloro-N-(3-fluoro-4-methylphenyl)-3-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide?
The canonical SMILES for 2-chloro-N-[3-(difluoromethyl)-4-methylphenyl]-3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;2-chloro-N-[3-(difluoromethyl)-4-methylphenyl]-3-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;2-chloro-3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-6,7-dihydro-5H-pyrrolizine-1-carboxamide;2-chloro-N-(3-fluoro-4-methylphenyl)-3-[2-oxo-2-[[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;2-chloro-N-(3-fluoro-4-methylphenyl)-3-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide is Cc1ccc(NC(=O)c2c(Cl)c(C(=O)C(=O)NC3(c4cn[nH]n4)CC(F)(F)C3)n3c2CCC3)cc1C(F)F.Cc1ccc(NC(=O)c2c(Cl)c(C(=O)C(=O)NC3(c4cn[nH]n4)CC(F)(F)C3)n3c2CCC3)cc1F.Cc1ccc(NC(=O)c2c(Cl)c(C(=O)C(=O)NC3(c4cn[nH]n4)CC3)n3c2CCC3)cc1C(F)F.Cc1ccc(NC(=O)c2c(Cl)c(C(=O)C(=O)NC3(c4cn[nH]n4)CC3)n3c2CCC3)cc1F.Cc1ccc(NC(=O)c2c(Cl)c(C(=O)C(=O)NC3(c4nncs4)CC3)n3c2CCC3)cc1F.
What is the InChIKey of 2-chloro-N-[3-(difluoromethyl)-4-methylphenyl]-3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;2-chloro-N-[3-(difluoromethyl)-4-methylphenyl]-3-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;2-chloro-3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-6,7-dihydro-5H-pyrrolizine-1-carboxamide;2-chloro-N-(3-fluoro-4-methylphenyl)-3-[2-oxo-2-[[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;2-chloro-N-(3-fluoro-4-methylphenyl)-3-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide?
The InChIKey is HOJAUIIBXRFZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClF4N6O3.C23H20ClF3N6O3.C23H21ClF2N6O3.C22H20ClFN6O3.C22H19ClFN5O3S/c1-11-4-5-12(7-13(11)20(26)27)31-21(37)16-14-3-2-6-35(14)18(17(16)25)19(36)22(38)32-23(9-24(28,29)10-23)15-8-30-34-33-15;1-11-4-5-12(7-13(11)25)29-20(35)16-14-3-2-6-33(14)18(17(16)24)19(34)21(36)30-22(9-23(26,27)10-22)15-8-28-32-31-15;1-11-4-5-12(9-13(11)20(25)26)28-21(34)16-14-3-2-8-32(14)18(17(16)24)19(33)22(35)29-23(6-7-23)15-10-27-31-30-15;1-11-4-5-12(9-13(11)24)26-20(32)16-14-3-2-8-30(14)18(17(16)23)19(31)21(33)27-22(6-7-22)15-10-25-29-28-15;1-11-4-5-12(9-13(11)24)26-19(31)15-14-3-2-8-29(14)17(16(15)23)18(30)20(32)27-22(6-7-22)21-28-25-10-33-21/h4-5,7-8,20H,2-3,6,9-10H2,1H3,(H,31,37)(H,32,38)(H,30,33,34);4-5,7-8H,2-3,6,9-10H2,1H3,(H,29,35)(H,30,36)(H,28,31,32);4-5,9-10,20H,2-3,6-8H2,1H3,(H,28,34)(H,29,35)(H,27,30,31);4-5,9-10H,2-3,6-8H2,1H3,(H,26,32)(H,27,33)(H,25,28,29);4-5,9-10H,2-3,6-8H2,1H3,(H,26,31)(H,27,32).
What are the key properties of 2-chloro-N-[3-(difluoromethyl)-4-methylphenyl]-3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;2-chloro-N-[3-(difluoromethyl)-4-methylphenyl]-3-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;2-chloro-3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-6,7-dihydro-5H-pyrrolizine-1-carboxamide;2-chloro-N-(3-fluoro-4-methylphenyl)-3-[2-oxo-2-[[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;2-chloro-N-(3-fluoro-4-methylphenyl)-3-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide?
2-chloro-N-[3-(difluoromethyl)-4-methylphenyl]-3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;2-chloro-N-[3-(difluoromethyl)-4-methylphenyl]-3-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;2-chloro-3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-6,7-dihydro-5H-pyrrolizine-1-carboxamide;2-chloro-N-(3-fluoro-4-methylphenyl)-3-[2-oxo-2-[[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;2-chloro-N-(3-fluoro-4-methylphenyl)-3-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide has a molecular weight of 2535.56 g/mol, XLogP of 18.07, 32 rotatable bonds, 14 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(difluoromethyl)-4-methylphenyl]-3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;2-chloro-N-[3-(difluoromethyl)-4-methylphenyl]-3-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;2-chloro-3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-6,7-dihydro-5H-pyrrolizine-1-carboxamide;2-chloro-N-(3-fluoro-4-methylphenyl)-3-[2-oxo-2-[[1-(1,3,4-thiadiazol-2-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide;2-chloro-N-(3-fluoro-4-methylphenyl)-3-[2-oxo-2-[[1-(2H-triazol-4-yl)cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide is sourced from PubChem (CID 158539657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).