(2R,3R)-N-[[1-(2-bromo-4-fluorophenyl)piperidin-4-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[5-(4-chlorophenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-N-[[(3S)-1-(2-cyanophenyl)-3-methylpiperidin-4-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[(3R)-1-(2-cyanophenyl)-3-methylpiperidin-4-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[(3R)-1-(2-cyanophenyl)-3-methylpiperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide;(2R,3R)-N-[[(3S)-1-(2-cyanophenyl)-3-methylpiperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide;(2R,3R)-4-(4,5-difluoro-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-[(1R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-N-[[1-(2-ethoxy-3-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[1-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[1-[3-fluoro-2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide

C300H353BrClF12N47O53 — CID 159430625

IUPAC(2R,3R)-N-[[1-(2-bromo-4-fluorophenyl)piperidin-4-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[5-(4-chlorophenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-N-[[(3S)-1-(2-cyanophenyl)-3-methylpiperidin-4-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[(3R)-1-(2-cyanophenyl)-3-methylpiperidin-4-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[(3R)-1-(2-cyanophenyl)-3-methylpiperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide;(2R,3R)-N-[[(3S)-1-(2-cyanophenyl)-3-methylpiperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide;(2R,3R)-4-(4,5-difluoro-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-[(1R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-N-[[1-(2-ethoxy-3-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[1-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[1-[3-fluoro-2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide
SMILESCCOc1c(F)cccc1N1CCC(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2)CC1.C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1C2CCC1c1cc(F)c(F)cc12)c1ccc(-n2cccn2)cc1.C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1CC2CC1CN2c1ccc(Cl)cc1)c1ccc(-n2cccn2)cc1.C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)c1ccc(-n2cccn2)cc1.C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)c1ccc(-n2cccn2)cc1.C[C@@H]1CN(c2ccccc2C#N)CCC1CNC(=O)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1ccccc1.C[C@@H]1CN(c2ccccc2C#N)CCC1CNC(=O)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1.C[C@H]1CN(c2ccccc2C#N)CCC1CNC(=O)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1ccccc1.C[C@H]1CN(c2ccccc2C#N)CCC1CNC(=O)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1.O=C(NCC1CCN(c2ccc(F)cc2Br)CC1)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1.O=C(NCC1CCN(c2ccc(F)cc2OCC(F)(F)F)CC1)[C@H](O)[C@@H](O)C(=O)N1CCCC1.O=C(NCC1CCN(c2cccc(F)c2OC(F)(F)F)CC1)[C@H](O)[C@@H](O)C(=O)N1CCCC1
InChIInChI=1S/2C28H34N4O4.C26H28ClN5O4.2C26H29N5O5.2C26H30N4O4.C25H24F2N4O4.C24H27BrFN3O4.C22H29F4N3O5.C22H32FN3O5.C21H27F4N3O5/c2*1-19-18-31(23-11-6-5-10-21(23)16-29)15-13-22(19)17-30-27(35)25(33)26(34)28(36)32-14-7-12-24(32)20-8-3-2-4-9-20;1-16(17-3-7-20(8-4-17)32-12-2-11-28-32)29-25(35)23(33)24(34)26(36)31-15-21-13-22(31)14-30(21)19-9-5-18(27)6-10-19;2*1-16(18-6-8-20(9-7-18)31-11-3-10-27-31)28-25(35)23(33)24(34)26(36)29-13-17-12-19(15-29)21-4-2-5-22(32)30(21)14-17;2*1-17-14-29(22-9-5-4-6-18(22)12-27)11-10-19(17)13-28-25(33)23(31)24(32)26(34)30-15-20-7-2-3-8-21(20)16-30;1-13(14-3-5-15(6-4-14)30-10-2-9-28-30)29-24(34)22(32)23(33)25(35)31-20-7-8-21(31)17-12-19(27)18(26)11-16(17)20;25-19-11-18(26)5-6-20(19)28-9-7-15(8-10-28)12-27-23(32)21(30)22(31)24(33)29-13-16-3-1-2-4-17(16)14-29;23-15-3-4-16(17(11-15)34-13-22(24,25)26)28-9-5-14(6-10-28)12-27-20(32)18(30)19(31)21(33)29-7-1-2-8-29;1-2-31-20-16(23)6-5-7-17(20)25-12-8-15(9-13-25)14-24-21(29)18(27)19(28)22(30)26-10-3-4-11-26;22-14-4-3-5-15(18(14)33-21(23,24)25)27-10-6-13(7-11-27)12-26-19(31)16(29)17(30)20(32)28-8-1-2-9-28/h2*2-6,8-11,19,22,24-26,33-34H,7,12-15,17-18H2,1H3,(H,30,35);2-12,16,21-24,33-34H,13-15H2,1H3,(H,29,35);2*2-11,16-17,19,23-24,33-34H,12-15H2,1H3,(H,28,35);2*2-9,17,19,23-24,31-32H,10-11,13-16H2,1H3,(H,28,33);2-6,9-13,20-23,32-33H,7-8H2,1H3,(H,29,34);1-6,11,15,21-22,30-31H,7-10,12-14H2,(H,27,32);3-4,11,14,18-19,30-31H,1-2,5-10,12-13H2,(H,27,32);5-7,15,18-19,27-28H,2-4,8-14H2,1H3,(H,24,29);3-5,13,16-17,29-30H,1-2,6-12H2,(H,26,31)/t19-,22?,24+,25+,26+;19-,22?,24-,25-,26-;16-,21?,22?,23-,24-;16-,17+,19-,23-,24-;16-,17-,19+,23-,24-;17-,19?,23+,24+;17-,19?,23-,24-;13-,20?,21?,22-,23-;21-,22-;2*18-,19-;16-,17-/m011110111111/s1
InChIKeyLQYBSAPLUXFDFU-ODZXJFFNSA-N
MW5808.73 g/mol
LogP18.72
Rot. Bonds80

About (2R,3R)-N-[[1-(2-bromo-4-fluorophenyl)piperidin-4-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[5-(4-chlorophenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-N-[[(3S)-1-(2-cyanophenyl)-3-methylpiperidin-4-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[(3R)-1-(2-cyanophenyl)-3-methylpiperidin-4-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[(3R)-1-(2-cyanophenyl)-3-methylpiperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide;(2R,3R)-N-[[(3S)-1-(2-cyanophenyl)-3-methylpiperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide;(2R,3R)-4-(4,5-difluoro-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-[(1R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-N-[[1-(2-ethoxy-3-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[1-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[1-[3-fluoro-2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide

(2R,3R)-N-[[1-(2-bromo-4-fluorophenyl)piperidin-4-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[5-(4-chlorophenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-N-[[(3S)-1-(2-cyanophenyl)-3-methylpiperidin-4-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[(3R)-1-(2-cyanophenyl)-3-methylpiperidin-4-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[(3R)-1-(2-cyanophenyl)-3-methylpiperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide;(2R,3R)-N-[[(3S)-1-(2-cyanophenyl)-3-methylpiperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide;(2R,3R)-4-(4,5-difluoro-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-[(1R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-N-[[1-(2-ethoxy-3-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[1-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[1-[3-fluoro-2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide (PubChem CID 159430625) has the molecular formula C300H353BrClF12N47O53 and a molecular weight of 5808.73 g/mol. Its IUPAC name is (2R,3R)-N-[[1-(2-bromo-4-fluorophenyl)piperidin-4-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[5-(4-chlorophenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-N-[[(3S)-1-(2-cyanophenyl)-3-methylpiperidin-4-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[(3R)-1-(2-cyanophenyl)-3-methylpiperidin-4-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[(3R)-1-(2-cyanophenyl)-3-methylpiperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide;(2R,3R)-N-[[(3S)-1-(2-cyanophenyl)-3-methylpiperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide;(2R,3R)-4-(4,5-difluoro-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-[(1R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-N-[[1-(2-ethoxy-3-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[1-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[1-[3-fluoro-2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide.

Molecular Properties

Compound Name(2R,3R)-N-[[1-(2-bromo-4-fluorophenyl)piperidin-4-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[5-(4-chlorophenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-N-[[(3S)-1-(2-cyanophenyl)-3-methylpiperidin-4-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[(3R)-1-(2-cyanophenyl)-3-methylpiperidin-4-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[(3R)-1-(2-cyanophenyl)-3-methylpiperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide;(2R,3R)-N-[[(3S)-1-(2-cyanophenyl)-3-methylpiperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide;(2R,3R)-4-(4,5-difluoro-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-[(1R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-N-[[1-(2-ethoxy-3-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[1-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[1-[3-fluoro-2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide
PubChem CID159430625
Molecular FormulaC300H353BrClF12N47O53
Molecular Weight5808.73 g/mol
Exact Mass5803.51
IUPAC Name(2R,3R)-N-[[1-(2-bromo-4-fluorophenyl)piperidin-4-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[5-(4-chlorophenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-N-[[(3S)-1-(2-cyanophenyl)-3-methylpiperidin-4-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[(3R)-1-(2-cyanophenyl)-3-methylpiperidin-4-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[(3R)-1-(2-cyanophenyl)-3-methylpiperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide;(2R,3R)-N-[[(3S)-1-(2-cyanophenyl)-3-methylpiperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide;(2R,3R)-4-(4,5-difluoro-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-[(1R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-N-[[1-(2-ethoxy-3-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[1-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[1-[3-fluoro-2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide
SMILESCCOc1c(F)cccc1N1CCC(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2)CC1.C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1C2CCC1c1cc(F)c(F)cc12)c1ccc(-n2cccn2)cc1.C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1CC2CC1CN2c1ccc(Cl)cc1)c1ccc(-n2cccn2)cc1.C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)c1ccc(-n2cccn2)cc1.C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)c1ccc(-n2cccn2)cc1.C[C@@H]1CN(c2ccccc2C#N)CCC1CNC(=O)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1ccccc1.C[C@@H]1CN(c2ccccc2C#N)CCC1CNC(=O)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1.C[C@H]1CN(c2ccccc2C#N)CCC1CNC(=O)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1ccccc1.C[C@H]1CN(c2ccccc2C#N)CCC1CNC(=O)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1.O=C(NCC1CCN(c2ccc(F)cc2Br)CC1)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1.O=C(NCC1CCN(c2ccc(F)cc2OCC(F)(F)F)CC1)[C@H](O)[C@@H](O)C(=O)N1CCCC1.O=C(NCC1CCN(c2cccc(F)c2OC(F)(F)F)CC1)[C@H](O)[C@@H](O)C(=O)N1CCCC1
InChIInChI=1S/2C28H34N4O4.C26H28ClN5O4.2C26H29N5O5.2C26H30N4O4.C25H24F2N4O4.C24H27BrFN3O4.C22H29F4N3O5.C22H32FN3O5.C21H27F4N3O5/c2*1-19-18-31(23-11-6-5-10-21(23)16-29)15-13-22(19)17-30-27(35)25(33)26(34)28(36)32-14-7-12-24(32)20-8-3-2-4-9-20;1-16(17-3-7-20(8-4-17)32-12-2-11-28-32)29-25(35)23(33)24(34)26(36)31-15-21-13-22(31)14-30(21)19-9-5-18(27)6-10-19;2*1-16(18-6-8-20(9-7-18)31-11-3-10-27-31)28-25(35)23(33)24(34)26(36)29-13-17-12-19(15-29)21-4-2-5-22(32)30(21)14-17;2*1-17-14-29(22-9-5-4-6-18(22)12-27)11-10-19(17)13-28-25(33)23(31)24(32)26(34)30-15-20-7-2-3-8-21(20)16-30;1-13(14-3-5-15(6-4-14)30-10-2-9-28-30)29-24(34)22(32)23(33)25(35)31-20-7-8-21(31)17-12-19(27)18(26)11-16(17)20;25-19-11-18(26)5-6-20(19)28-9-7-15(8-10-28)12-27-23(32)21(30)22(31)24(33)29-13-16-3-1-2-4-17(16)14-29;23-15-3-4-16(17(11-15)34-13-22(24,25)26)28-9-5-14(6-10-28)12-27-20(32)18(30)19(31)21(33)29-7-1-2-8-29;1-2-31-20-16(23)6-5-7-17(20)25-12-8-15(9-13-25)14-24-21(29)18(27)19(28)22(30)26-10-3-4-11-26;22-14-4-3-5-15(18(14)33-21(23,24)25)27-10-6-13(7-11-27)12-26-19(31)16(29)17(30)20(32)28-8-1-2-9-28/h2*2-6,8-11,19,22,24-26,33-34H,7,12-15,17-18H2,1H3,(H,30,35);2-12,16,21-24,33-34H,13-15H2,1H3,(H,29,35);2*2-11,16-17,19,23-24,33-34H,12-15H2,1H3,(H,28,35);2*2-9,17,19,23-24,31-32H,10-11,13-16H2,1H3,(H,28,33);2-6,9-13,20-23,32-33H,7-8H2,1H3,(H,29,34);1-6,11,15,21-22,30-31H,7-10,12-14H2,(H,27,32);3-4,11,14,18-19,30-31H,1-2,5-10,12-13H2,(H,27,32);5-7,15,18-19,27-28H,2-4,8-14H2,1H3,(H,24,29);3-5,13,16-17,29-30H,1-2,6-12H2,(H,26,31)/t19-,22?,24+,25+,26+;19-,22?,24-,25-,26-;16-,21?,22?,23-,24-;16-,17+,19-,23-,24-;16-,17-,19+,23-,24-;17-,19?,23+,24+;17-,19?,23-,24-;13-,20?,21?,22-,23-;21-,22-;2*18-,19-;16-,17-/m011110111111/s1
InChIKeyLQYBSAPLUXFDFU-ODZXJFFNSA-N
XLogP18.72
TPSA1345.73 Ų
H-Bond Donors36
H-Bond Acceptors76
Rotatable Bonds80
Heavy Atoms414
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005808.73
LogP ≤ 518.72
H-Bond Donors ≤ 536
H-Bond Acceptors ≤ 1076

Analyze (2R,3R)-N-[[1-(2-bromo-4-fluorophenyl)piperidin-4-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[5-(4-chlorophenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-N-[[(3S)-1-(2-cyanophenyl)-3-methylpiperidin-4-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[(3R)-1-(2-cyanophenyl)-3-methylpiperidin-4-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[(3R)-1-(2-cyanophenyl)-3-methylpiperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide;(2R,3R)-N-[[(3S)-1-(2-cyanophenyl)-3-methylpiperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide;(2R,3R)-4-(4,5-difluoro-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-[(1R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-N-[[1-(2-ethoxy-3-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[1-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[1-[3-fluoro-2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-[[1-(2-bromo-4-fluorophenyl)piperidin-4-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[5-(4-chlorophenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-N-[[(3S)-1-(2-cyanophenyl)-3-methylpiperidin-4-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[(3R)-1-(2-cyanophenyl)-3-methylpiperidin-4-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[(3R)-1-(2-cyanophenyl)-3-methylpiperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide;(2R,3R)-N-[[(3S)-1-(2-cyanophenyl)-3-methylpiperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide;(2R,3R)-4-(4,5-difluoro-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-[(1R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-N-[[1-(2-ethoxy-3-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[1-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[1-[3-fluoro-2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide?
The IUPAC name of (2R,3R)-N-[[1-(2-bromo-4-fluorophenyl)piperidin-4-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[5-(4-chlorophenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-N-[[(3S)-1-(2-cyanophenyl)-3-methylpiperidin-4-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[(3R)-1-(2-cyanophenyl)-3-methylpiperidin-4-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[(3R)-1-(2-cyanophenyl)-3-methylpiperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide;(2R,3R)-N-[[(3S)-1-(2-cyanophenyl)-3-methylpiperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide;(2R,3R)-4-(4,5-difluoro-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-[(1R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-N-[[1-(2-ethoxy-3-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[1-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[1-[3-fluoro-2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide (CID 159430625) is (2R,3R)-N-[[1-(2-bromo-4-fluorophenyl)piperidin-4-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[5-(4-chlorophenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-N-[[(3S)-1-(2-cyanophenyl)-3-methylpiperidin-4-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[(3R)-1-(2-cyanophenyl)-3-methylpiperidin-4-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[(3R)-1-(2-cyanophenyl)-3-methylpiperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide;(2R,3R)-N-[[(3S)-1-(2-cyanophenyl)-3-methylpiperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide;(2R,3R)-4-(4,5-difluoro-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-[(1R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-N-[[1-(2-ethoxy-3-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[1-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[1-[3-fluoro-2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide.
What is the SMILES notation for (2R,3R)-N-[[1-(2-bromo-4-fluorophenyl)piperidin-4-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[5-(4-chlorophenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-N-[[(3S)-1-(2-cyanophenyl)-3-methylpiperidin-4-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[(3R)-1-(2-cyanophenyl)-3-methylpiperidin-4-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[(3R)-1-(2-cyanophenyl)-3-methylpiperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide;(2R,3R)-N-[[(3S)-1-(2-cyanophenyl)-3-methylpiperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide;(2R,3R)-4-(4,5-difluoro-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-[(1R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-N-[[1-(2-ethoxy-3-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[1-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[1-[3-fluoro-2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide?
The canonical SMILES for (2R,3R)-N-[[1-(2-bromo-4-fluorophenyl)piperidin-4-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[5-(4-chlorophenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-N-[[(3S)-1-(2-cyanophenyl)-3-methylpiperidin-4-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[(3R)-1-(2-cyanophenyl)-3-methylpiperidin-4-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[(3R)-1-(2-cyanophenyl)-3-methylpiperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide;(2R,3R)-N-[[(3S)-1-(2-cyanophenyl)-3-methylpiperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide;(2R,3R)-4-(4,5-difluoro-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-[(1R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-N-[[1-(2-ethoxy-3-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[1-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[1-[3-fluoro-2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide is CCOc1c(F)cccc1N1CCC(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2)CC1.C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1C2CCC1c1cc(F)c(F)cc12)c1ccc(-n2cccn2)cc1.C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1CC2CC1CN2c1ccc(Cl)cc1)c1ccc(-n2cccn2)cc1.C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)c1ccc(-n2cccn2)cc1.C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)c1ccc(-n2cccn2)cc1.C[C@@H]1CN(c2ccccc2C#N)CCC1CNC(=O)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1ccccc1.C[C@@H]1CN(c2ccccc2C#N)CCC1CNC(=O)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1.C[C@H]1CN(c2ccccc2C#N)CCC1CNC(=O)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1ccccc1.C[C@H]1CN(c2ccccc2C#N)CCC1CNC(=O)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1.O=C(NCC1CCN(c2ccc(F)cc2Br)CC1)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1.O=C(NCC1CCN(c2ccc(F)cc2OCC(F)(F)F)CC1)[C@H](O)[C@@H](O)C(=O)N1CCCC1.O=C(NCC1CCN(c2cccc(F)c2OC(F)(F)F)CC1)[C@H](O)[C@@H](O)C(=O)N1CCCC1.
What is the InChIKey of (2R,3R)-N-[[1-(2-bromo-4-fluorophenyl)piperidin-4-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[5-(4-chlorophenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-N-[[(3S)-1-(2-cyanophenyl)-3-methylpiperidin-4-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[(3R)-1-(2-cyanophenyl)-3-methylpiperidin-4-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[(3R)-1-(2-cyanophenyl)-3-methylpiperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide;(2R,3R)-N-[[(3S)-1-(2-cyanophenyl)-3-methylpiperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide;(2R,3R)-4-(4,5-difluoro-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-[(1R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-N-[[1-(2-ethoxy-3-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[1-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[1-[3-fluoro-2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide?
The InChIKey is LQYBSAPLUXFDFU-ODZXJFFNSA-N. The full InChI is InChI=1S/2C28H34N4O4.C26H28ClN5O4.2C26H29N5O5.2C26H30N4O4.C25H24F2N4O4.C24H27BrFN3O4.C22H29F4N3O5.C22H32FN3O5.C21H27F4N3O5/c2*1-19-18-31(23-11-6-5-10-21(23)16-29)15-13-22(19)17-30-27(35)25(33)26(34)28(36)32-14-7-12-24(32)20-8-3-2-4-9-20;1-16(17-3-7-20(8-4-17)32-12-2-11-28-32)29-25(35)23(33)24(34)26(36)31-15-21-13-22(31)14-30(21)19-9-5-18(27)6-10-19;2*1-16(18-6-8-20(9-7-18)31-11-3-10-27-31)28-25(35)23(33)24(34)26(36)29-13-17-12-19(15-29)21-4-2-5-22(32)30(21)14-17;2*1-17-14-29(22-9-5-4-6-18(22)12-27)11-10-19(17)13-28-25(33)23(31)24(32)26(34)30-15-20-7-2-3-8-21(20)16-30;1-13(14-3-5-15(6-4-14)30-10-2-9-28-30)29-24(34)22(32)23(33)25(35)31-20-7-8-21(31)17-12-19(27)18(26)11-16(17)20;25-19-11-18(26)5-6-20(19)28-9-7-15(8-10-28)12-27-23(32)21(30)22(31)24(33)29-13-16-3-1-2-4-17(16)14-29;23-15-3-4-16(17(11-15)34-13-22(24,25)26)28-9-5-14(6-10-28)12-27-20(32)18(30)19(31)21(33)29-7-1-2-8-29;1-2-31-20-16(23)6-5-7-17(20)25-12-8-15(9-13-25)14-24-21(29)18(27)19(28)22(30)26-10-3-4-11-26;22-14-4-3-5-15(18(14)33-21(23,24)25)27-10-6-13(7-11-27)12-26-19(31)16(29)17(30)20(32)28-8-1-2-9-28/h2*2-6,8-11,19,22,24-26,33-34H,7,12-15,17-18H2,1H3,(H,30,35);2-12,16,21-24,33-34H,13-15H2,1H3,(H,29,35);2*2-11,16-17,19,23-24,33-34H,12-15H2,1H3,(H,28,35);2*2-9,17,19,23-24,31-32H,10-11,13-16H2,1H3,(H,28,33);2-6,9-13,20-23,32-33H,7-8H2,1H3,(H,29,34);1-6,11,15,21-22,30-31H,7-10,12-14H2,(H,27,32);3-4,11,14,18-19,30-31H,1-2,5-10,12-13H2,(H,27,32);5-7,15,18-19,27-28H,2-4,8-14H2,1H3,(H,24,29);3-5,13,16-17,29-30H,1-2,6-12H2,(H,26,31)/t19-,22?,24+,25+,26+;19-,22?,24-,25-,26-;16-,21?,22?,23-,24-;16-,17+,19-,23-,24-;16-,17-,19+,23-,24-;17-,19?,23+,24+;17-,19?,23-,24-;13-,20?,21?,22-,23-;21-,22-;2*18-,19-;16-,17-/m011110111111/s1.
What are the key properties of (2R,3R)-N-[[1-(2-bromo-4-fluorophenyl)piperidin-4-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[5-(4-chlorophenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-N-[[(3S)-1-(2-cyanophenyl)-3-methylpiperidin-4-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[(3R)-1-(2-cyanophenyl)-3-methylpiperidin-4-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[(3R)-1-(2-cyanophenyl)-3-methylpiperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide;(2R,3R)-N-[[(3S)-1-(2-cyanophenyl)-3-methylpiperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide;(2R,3R)-4-(4,5-difluoro-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-[(1R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-N-[[1-(2-ethoxy-3-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[1-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[1-[3-fluoro-2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide?
(2R,3R)-N-[[1-(2-bromo-4-fluorophenyl)piperidin-4-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[5-(4-chlorophenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-N-[[(3S)-1-(2-cyanophenyl)-3-methylpiperidin-4-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[(3R)-1-(2-cyanophenyl)-3-methylpiperidin-4-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[(3R)-1-(2-cyanophenyl)-3-methylpiperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide;(2R,3R)-N-[[(3S)-1-(2-cyanophenyl)-3-methylpiperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide;(2R,3R)-4-(4,5-difluoro-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-[(1R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-N-[[1-(2-ethoxy-3-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[1-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[1-[3-fluoro-2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide has a molecular weight of 5808.73 g/mol, XLogP of 18.72, 80 rotatable bonds, 36 hydrogen bond donors, and 76 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-[[1-(2-bromo-4-fluorophenyl)piperidin-4-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[5-(4-chlorophenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-N-[[(3S)-1-(2-cyanophenyl)-3-methylpiperidin-4-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[(3R)-1-(2-cyanophenyl)-3-methylpiperidin-4-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[[(3R)-1-(2-cyanophenyl)-3-methylpiperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide;(2R,3R)-N-[[(3S)-1-(2-cyanophenyl)-3-methylpiperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide;(2R,3R)-4-(4,5-difluoro-11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl)-2,3-dihydroxy-4-oxo-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-[(1R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-2,3-dihydroxy-4-oxo-4-[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;(2R,3R)-N-[[1-(2-ethoxy-3-fluorophenyl)piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[1-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;(2R,3R)-N-[[1-[3-fluoro-2-(trifluoromethoxy)phenyl]piperidin-4-yl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide is sourced from PubChem (CID 159430625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).