About N-(3-chloro-4-methylphenyl)-3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3-cyano-4-methylphenyl)-3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;(2R,4S)-7-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-8-methyl-N-(4-methylphenyl)-6-azatricyclo[4.3.0.02,4]nona-1(9),7-diene-9-carboxamide;3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-N-(4-methylphenyl)-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[(1-ethynylcyclopropyl)amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3-fluoro-4-methylphenyl)-2-methyl-3-[2-oxo-2-[[1-[1-(trimethylsilylmethyl)triazol-4-yl]cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide
N-(3-chloro-4-methylphenyl)-3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3-cyano-4-methylphenyl)-3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;(2R,4S)-7-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-8-methyl-N-(4-methylphenyl)-6-azatricyclo[4.3.0.02,4]nona-1(9),7-diene-9-carboxamide;3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-N-(4-methylphenyl)-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[(1-ethynylcyclopropyl)amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3-fluoro-4-methylphenyl)-2-methyl-3-[2-oxo-2-[[1-[1-(trimethylsilylmethyl)triazol-4-yl]cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide (PubChem CID 157117709) has the molecular formula C148H149ClF10N34O18Si
and a molecular weight of 2945.56 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3-cyano-4-methylphenyl)-3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;(2R,4S)-7-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-8-methyl-N-(4-methylphenyl)-6-azatricyclo[4.3.0.02,4]nona-1(9),7-diene-9-carboxamide;3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-N-(4-methylphenyl)-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[(1-ethynylcyclopropyl)amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3-fluoro-4-methylphenyl)-2-methyl-3-[2-oxo-2-[[1-[1-(trimethylsilylmethyl)triazol-4-yl]cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide.
Frequently Asked Questions
What is the IUPAC name of N-(3-chloro-4-methylphenyl)-3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3-cyano-4-methylphenyl)-3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;(2R,4S)-7-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-8-methyl-N-(4-methylphenyl)-6-azatricyclo[4.3.0.02,4]nona-1(9),7-diene-9-carboxamide;3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-N-(4-methylphenyl)-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[(1-ethynylcyclopropyl)amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3-fluoro-4-methylphenyl)-2-methyl-3-[2-oxo-2-[[1-[1-(trimethylsilylmethyl)triazol-4-yl]cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3-cyano-4-methylphenyl)-3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;(2R,4S)-7-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-8-methyl-N-(4-methylphenyl)-6-azatricyclo[4.3.0.02,4]nona-1(9),7-diene-9-carboxamide;3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-N-(4-methylphenyl)-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[(1-ethynylcyclopropyl)amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3-fluoro-4-methylphenyl)-2-methyl-3-[2-oxo-2-[[1-[1-(trimethylsilylmethyl)triazol-4-yl]cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide (CID 157117709) is N-(3-chloro-4-methylphenyl)-3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3-cyano-4-methylphenyl)-3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;(2R,4S)-7-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-8-methyl-N-(4-methylphenyl)-6-azatricyclo[4.3.0.02,4]nona-1(9),7-diene-9-carboxamide;3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-N-(4-methylphenyl)-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[(1-ethynylcyclopropyl)amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3-fluoro-4-methylphenyl)-2-methyl-3-[2-oxo-2-[[1-[1-(trimethylsilylmethyl)triazol-4-yl]cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3-cyano-4-methylphenyl)-3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;(2R,4S)-7-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-8-methyl-N-(4-methylphenyl)-6-azatricyclo[4.3.0.02,4]nona-1(9),7-diene-9-carboxamide;3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-N-(4-methylphenyl)-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[(1-ethynylcyclopropyl)amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3-fluoro-4-methylphenyl)-2-methyl-3-[2-oxo-2-[[1-[1-(trimethylsilylmethyl)triazol-4-yl]cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3-cyano-4-methylphenyl)-3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;(2R,4S)-7-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-8-methyl-N-(4-methylphenyl)-6-azatricyclo[4.3.0.02,4]nona-1(9),7-diene-9-carboxamide;3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-N-(4-methylphenyl)-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[(1-ethynylcyclopropyl)amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3-fluoro-4-methylphenyl)-2-methyl-3-[2-oxo-2-[[1-[1-(trimethylsilylmethyl)triazol-4-yl]cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide is C#CC1(NC(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(C)c(F)c3)c3n2CCC3)CC1.Cc1ccc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(c4cn(C[Si](C)(C)C)nn4)CC3)n3c2CCC3)cc1F.Cc1ccc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(c4cn[nH]n4)CC(F)(F)C3)n3c2CCC3)cc1.Cc1ccc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(c4cn[nH]n4)CC(F)(F)C3)n3c2CCC3)cc1C#N.Cc1ccc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(c4cn[nH]n4)CC(F)(F)C3)n3c2CCC3)cc1Cl.Cc1ccc(NC(=O)c2c(C)c(C(=O)C(=O)NC3(c4cn[nH]n4)CC(F)(F)C3)n3c2[C@@H]2C[C@@H]2C3)cc1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3-cyano-4-methylphenyl)-3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;(2R,4S)-7-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-8-methyl-N-(4-methylphenyl)-6-azatricyclo[4.3.0.02,4]nona-1(9),7-diene-9-carboxamide;3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-N-(4-methylphenyl)-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[(1-ethynylcyclopropyl)amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3-fluoro-4-methylphenyl)-2-methyl-3-[2-oxo-2-[[1-[1-(trimethylsilylmethyl)triazol-4-yl]cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide?
The InChIKey is AHPFUKCAGPMHJM-NEAGIPMPSA-N. The full InChI is InChI=1S/C27H33FN6O3Si.C25H23F2N7O3.C25H24F2N6O3.C24H23ClF2N6O3.C24H24F2N6O3.C23H22FN3O3/c1-16-8-9-18(13-19(16)28)29-25(36)22-17(2)23(34-12-6-7-20(22)34)24(35)26(37)30-27(10-11-27)21-14-33(32-31-21)15-38(3,4)5;1-13-5-6-16(8-15(13)9-28)30-22(36)19-14(2)20(34-7-3-4-17(19)34)21(35)23(37)31-24(11-25(26,27)12-24)18-10-29-33-32-18;1-12-3-5-15(6-4-12)29-22(35)18-13(2)19(33-9-14-7-16(14)20(18)33)21(34)23(36)30-24(10-25(26,27)11-24)17-8-28-32-31-17;1-12-5-6-14(8-15(12)25)29-21(35)18-13(2)19(33-7-3-4-16(18)33)20(34)22(36)30-23(10-24(26,27)11-23)17-9-28-32-31-17;1-13-5-7-15(8-6-13)28-21(34)18-14(2)19(32-9-3-4-16(18)32)20(33)22(35)29-23(11-24(25,26)12-23)17-10-27-31-30-17;1-4-23(9-10-23)26-22(30)20(28)19-14(3)18(17-6-5-11-27(17)19)21(29)25-15-8-7-13(2)16(24)12-15/h8-9,13-14H,6-7,10-12,15H2,1-5H3,(H,29,36)(H,30,37);5-6,8,10H,3-4,7,11-12H2,1-2H3,(H,30,36)(H,31,37)(H,29,32,33);3-6,8,14,16H,7,9-11H2,1-2H3,(H,29,35)(H,30,36)(H,28,31,32);5-6,8-9H,3-4,7,10-11H2,1-2H3,(H,29,35)(H,30,36)(H,28,31,32);5-8,10H,3-4,9,11-12H2,1-2H3,(H,28,34)(H,29,35)(H,27,30,31);1,7-8,12H,5-6,9-11H2,2-3H3,(H,25,29)(H,26,30)/t;;14-,16-;;;/m..1.../s1.
What are the key properties of N-(3-chloro-4-methylphenyl)-3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3-cyano-4-methylphenyl)-3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;(2R,4S)-7-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-8-methyl-N-(4-methylphenyl)-6-azatricyclo[4.3.0.02,4]nona-1(9),7-diene-9-carboxamide;3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-N-(4-methylphenyl)-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[(1-ethynylcyclopropyl)amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3-fluoro-4-methylphenyl)-2-methyl-3-[2-oxo-2-[[1-[1-(trimethylsilylmethyl)triazol-4-yl]cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide?
N-(3-chloro-4-methylphenyl)-3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3-cyano-4-methylphenyl)-3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;(2R,4S)-7-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-8-methyl-N-(4-methylphenyl)-6-azatricyclo[4.3.0.02,4]nona-1(9),7-diene-9-carboxamide;3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-N-(4-methylphenyl)-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[(1-ethynylcyclopropyl)amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3-fluoro-4-methylphenyl)-2-methyl-3-[2-oxo-2-[[1-[1-(trimethylsilylmethyl)triazol-4-yl]cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide has a molecular weight of 2945.56 g/mol, XLogP of 19.68, 37 rotatable bonds, 16 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3-cyano-4-methylphenyl)-3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;(2R,4S)-7-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-8-methyl-N-(4-methylphenyl)-6-azatricyclo[4.3.0.02,4]nona-1(9),7-diene-9-carboxamide;3-[2-[[3,3-difluoro-1-(2H-triazol-4-yl)cyclobutyl]amino]-2-oxoacetyl]-2-methyl-N-(4-methylphenyl)-6,7-dihydro-5H-pyrrolizine-1-carboxamide;3-[2-[(1-ethynylcyclopropyl)amino]-2-oxoacetyl]-N-(3-fluoro-4-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrrolizine-1-carboxamide;N-(3-fluoro-4-methylphenyl)-2-methyl-3-[2-oxo-2-[[1-[1-(trimethylsilylmethyl)triazol-4-yl]cyclopropyl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-1-carboxamide is sourced from PubChem (CID 157117709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).