ethyl 3-[2-methyl-4-[(1R,3S)-3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]cyclohexyl]benzoate;ethyl 3-[3-methyl-1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoate;[(1S,3R)-3-[4-[3-(2-hydroxypropan-2-yl)phenyl]piperidin-1-yl]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;methyl 4-fluoro-3-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoate;methyl 2-methoxy-5-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoate;methyl 2-methyl-3-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoate;methyl 4-methyl-3-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoate;methyl 3-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoate;[(1S,3R)-1-propan-2-yl-3-[4-(3-prop-1-en-2-ylphenyl)piperidin-1-yl]cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;3-[1-[(1S,3S)-3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid

C321H400F31N27O28 — CID 159872088

IUPACethyl 3-[2-methyl-4-[(1R,3S)-3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]cyclohexyl]benzoate;ethyl 3-[3-methyl-1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoate;[(1S,3R)-3-[4-[3-(2-hydroxypropan-2-yl)phenyl]piperidin-1-yl]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;methyl 4-fluoro-3-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoate;methyl 2-methoxy-5-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoate;methyl 2-methyl-3-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoate;methyl 4-methyl-3-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoate;methyl 3-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoate;[(1S,3R)-1-propan-2-yl-3-[4-(3-prop-1-en-2-ylphenyl)piperidin-1-yl]cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;3-[1-[(1S,3S)-3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid
SMILESC=C(C)c1cccc(C2CCN([C@@H]3CC[C@@](C(=O)N4CCc5ncc(C(F)(F)F)cc5C4)(C(C)C)C3)CC2)c1.CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@H](N2CCC(c3cccc(C(=O)O)c3)CC2)C1.CC(C)[C@]1(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)CC[C@@H](N2CCC(c3cccc(C(C)(C)O)c3)CC2)C1.CCOC(=O)c1cccc(C2CCC([C@@H]3CC[C@@](C(=O)N4CCc5ccc(C(F)(F)F)cc5C4)(C(C)C)C3)CC2C)c1.CCOC(=O)c1cccc(C2CCN([C@@H]3CC[C@@](C(=O)N4CCc5ncc(C(F)(F)F)cc5C4)(C(C)C)C3)CC2C)c1.COC(=O)c1cc(C2CCN([C@@H]3CC[C@@](C(=O)N4CCc5ncc(C(F)(F)F)cc5C4)(C(C)C)C3)CC2)ccc1OC.COC(=O)c1ccc(C)c(C2CCN([C@@H]3CC[C@@](C(=O)N4CCc5ncc(C(F)(F)F)cc5C4)(C(C)C)C3)CC2)c1.COC(=O)c1ccc(F)c(C2CCN([C@@H]3CC[C@@](C(=O)N4CCc5ncc(C(F)(F)F)cc5C4)(C(C)C)C3)CC2)c1.COC(=O)c1cccc(C2CCN([C@@H]3CC[C@@](C(=O)N4CCc5ncc(C(F)(F)F)cc5C4)(C(C)C)C3)CC2)c1.COC(=O)c1cccc(C2CCN([C@@H]3CC[C@@](C(=O)N4CCc5ncc(C(F)(F)F)cc5C4)(C(C)C)C3)CC2)c1C
InChIInChI=1S/C35H44F3NO3.C33H42F3N3O3.C32H40F3N3O4.2C32H40F3N3O3.C32H42F3N3O2.C32H40F3N3O.C31H37F4N3O3.C31H38F3N3O3.C31H37F3N2O3/c1-5-42-32(40)27-8-6-7-26(18-27)31-12-10-25(17-23(31)4)28-13-15-34(20-28,22(2)3)33(41)39-16-14-24-9-11-30(35(36,37)38)19-29(24)21-39;1-5-42-30(40)24-8-6-7-23(15-24)28-10-13-38(19-22(28)4)27-9-12-32(17-27,21(2)3)31(41)39-14-11-29-25(20-39)16-26(18-37-29)33(34,35)36;1-20(2)31(30(40)38-14-10-27-23(19-38)15-24(18-36-27)32(33,34)35)11-7-25(17-31)37-12-8-21(9-13-37)22-5-6-28(41-3)26(16-22)29(39)42-4;1-20(2)31(30(40)38-14-10-28-24(19-38)15-25(18-36-28)32(33,34)35)11-7-26(17-31)37-12-8-22(9-13-37)27-16-23(29(39)41-4)6-5-21(27)3;1-20(2)31(30(40)38-15-11-28-23(19-38)16-24(18-36-28)32(33,34)35)12-8-25(17-31)37-13-9-22(10-14-37)26-6-5-7-27(21(26)3)29(39)41-4;1-21(2)31(29(39)38-15-11-28-24(20-38)17-26(19-36-28)32(33,34)35)12-8-27(18-31)37-13-9-22(10-14-37)23-6-5-7-25(16-23)30(3,4)40;1-21(2)24-6-5-7-25(16-24)23-9-13-37(14-10-23)28-8-12-31(18-28,22(3)4)30(39)38-15-11-29-26(20-38)17-27(19-36-29)32(33,34)35;1-19(2)30(29(40)38-13-9-27-22(18-38)14-23(17-36-27)31(33,34)35)10-6-24(16-30)37-11-7-20(8-12-37)25-15-21(28(39)41-3)4-5-26(25)32;1-20(2)30(29(39)37-14-10-27-24(19-37)16-25(18-35-27)31(32,33)34)11-7-26(17-30)36-12-8-21(9-13-36)22-5-4-6-23(15-22)28(38)40-3;1-20(2)30(29(39)36-15-11-21-6-7-26(31(32,33)34)17-25(21)19-36)12-8-27(18-30)35-13-9-22(10-14-35)23-4-3-5-24(16-23)28(37)38/h6-9,11,18-19,22-23,25,28,31H,5,10,12-17,20-21H2,1-4H3;6-8,15-16,18,21-22,27-28H,5,9-14,17,19-20H2,1-4H3;5-6,15-16,18,20-21,25H,7-14,17,19H2,1-4H3;5-6,15-16,18,20,22,26H,7-14,17,19H2,1-4H3;5-7,16,18,20,22,25H,8-15,17,19H2,1-4H3;5-7,16-17,19,21-22,27,40H,8-15,18,20H2,1-4H3;5-7,16-17,19,22-23,28H,1,8-15,18,20H2,2-4H3;4-5,14-15,17,19-20,24H,6-13,16,18H2,1-3H3;4-6,15-16,18,20-21,26H,7-14,17,19H2,1-3H3;3-7,16-17,20,22,27H,8-15,18-19H2,1-2H3,(H,37,38)/t23?,25?,28-,31?,34+;22?,27-,28?,32+;25-,31+;26-,31+;25-,31+;27-,31+;28-,31+;24-,30+;26-,30+;27-,30-/m1111111110/s1
InChIKeyNSMDHLLTBJZSPU-LONRRMQISA-N
MW5673.83 g/mol
LogP64.65
Rot. Bonds53

About ethyl 3-[2-methyl-4-[(1R,3S)-3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]cyclohexyl]benzoate;ethyl 3-[3-methyl-1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoate;[(1S,3R)-3-[4-[3-(2-hydroxypropan-2-yl)phenyl]piperidin-1-yl]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;methyl 4-fluoro-3-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoate;methyl 2-methoxy-5-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoate;methyl 2-methyl-3-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoate;methyl 4-methyl-3-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoate;methyl 3-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoate;[(1S,3R)-1-propan-2-yl-3-[4-(3-prop-1-en-2-ylphenyl)piperidin-1-yl]cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;3-[1-[(1S,3S)-3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid

ethyl 3-[2-methyl-4-[(1R,3S)-3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]cyclohexyl]benzoate;ethyl 3-[3-methyl-1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoate;[(1S,3R)-3-[4-[3-(2-hydroxypropan-2-yl)phenyl]piperidin-1-yl]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;methyl 4-fluoro-3-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoate;methyl 2-methoxy-5-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoate;methyl 2-methyl-3-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoate;methyl 4-methyl-3-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoate;methyl 3-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoate;[(1S,3R)-1-propan-2-yl-3-[4-(3-prop-1-en-2-ylphenyl)piperidin-1-yl]cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;3-[1-[(1S,3S)-3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid (PubChem CID 159872088) has the molecular formula C321H400F31N27O28 and a molecular weight of 5673.83 g/mol. Its IUPAC name is ethyl 3-[2-methyl-4-[(1R,3S)-3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]cyclohexyl]benzoate;ethyl 3-[3-methyl-1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoate;[(1S,3R)-3-[4-[3-(2-hydroxypropan-2-yl)phenyl]piperidin-1-yl]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;methyl 4-fluoro-3-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoate;methyl 2-methoxy-5-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoate;methyl 2-methyl-3-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoate;methyl 4-methyl-3-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoate;methyl 3-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoate;[(1S,3R)-1-propan-2-yl-3-[4-(3-prop-1-en-2-ylphenyl)piperidin-1-yl]cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;3-[1-[(1S,3S)-3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid.

Molecular Properties

Compound Nameethyl 3-[2-methyl-4-[(1R,3S)-3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]cyclohexyl]benzoate;ethyl 3-[3-methyl-1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoate;[(1S,3R)-3-[4-[3-(2-hydroxypropan-2-yl)phenyl]piperidin-1-yl]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;methyl 4-fluoro-3-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoate;methyl 2-methoxy-5-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoate;methyl 2-methyl-3-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoate;methyl 4-methyl-3-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoate;methyl 3-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoate;[(1S,3R)-1-propan-2-yl-3-[4-(3-prop-1-en-2-ylphenyl)piperidin-1-yl]cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;3-[1-[(1S,3S)-3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid
PubChem CID159872088
Molecular FormulaC321H400F31N27O28
Molecular Weight5673.83 g/mol
Exact Mass5670.02
IUPAC Nameethyl 3-[2-methyl-4-[(1R,3S)-3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]cyclohexyl]benzoate;ethyl 3-[3-methyl-1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoate;[(1S,3R)-3-[4-[3-(2-hydroxypropan-2-yl)phenyl]piperidin-1-yl]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;methyl 4-fluoro-3-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoate;methyl 2-methoxy-5-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoate;methyl 2-methyl-3-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoate;methyl 4-methyl-3-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoate;methyl 3-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoate;[(1S,3R)-1-propan-2-yl-3-[4-(3-prop-1-en-2-ylphenyl)piperidin-1-yl]cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;3-[1-[(1S,3S)-3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid
SMILESC=C(C)c1cccc(C2CCN([C@@H]3CC[C@@](C(=O)N4CCc5ncc(C(F)(F)F)cc5C4)(C(C)C)C3)CC2)c1.CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@H](N2CCC(c3cccc(C(=O)O)c3)CC2)C1.CC(C)[C@]1(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)CC[C@@H](N2CCC(c3cccc(C(C)(C)O)c3)CC2)C1.CCOC(=O)c1cccc(C2CCC([C@@H]3CC[C@@](C(=O)N4CCc5ccc(C(F)(F)F)cc5C4)(C(C)C)C3)CC2C)c1.CCOC(=O)c1cccc(C2CCN([C@@H]3CC[C@@](C(=O)N4CCc5ncc(C(F)(F)F)cc5C4)(C(C)C)C3)CC2C)c1.COC(=O)c1cc(C2CCN([C@@H]3CC[C@@](C(=O)N4CCc5ncc(C(F)(F)F)cc5C4)(C(C)C)C3)CC2)ccc1OC.COC(=O)c1ccc(C)c(C2CCN([C@@H]3CC[C@@](C(=O)N4CCc5ncc(C(F)(F)F)cc5C4)(C(C)C)C3)CC2)c1.COC(=O)c1ccc(F)c(C2CCN([C@@H]3CC[C@@](C(=O)N4CCc5ncc(C(F)(F)F)cc5C4)(C(C)C)C3)CC2)c1.COC(=O)c1cccc(C2CCN([C@@H]3CC[C@@](C(=O)N4CCc5ncc(C(F)(F)F)cc5C4)(C(C)C)C3)CC2)c1.COC(=O)c1cccc(C2CCN([C@@H]3CC[C@@](C(=O)N4CCc5ncc(C(F)(F)F)cc5C4)(C(C)C)C3)CC2)c1C
InChIInChI=1S/C35H44F3NO3.C33H42F3N3O3.C32H40F3N3O4.2C32H40F3N3O3.C32H42F3N3O2.C32H40F3N3O.C31H37F4N3O3.C31H38F3N3O3.C31H37F3N2O3/c1-5-42-32(40)27-8-6-7-26(18-27)31-12-10-25(17-23(31)4)28-13-15-34(20-28,22(2)3)33(41)39-16-14-24-9-11-30(35(36,37)38)19-29(24)21-39;1-5-42-30(40)24-8-6-7-23(15-24)28-10-13-38(19-22(28)4)27-9-12-32(17-27,21(2)3)31(41)39-14-11-29-25(20-39)16-26(18-37-29)33(34,35)36;1-20(2)31(30(40)38-14-10-27-23(19-38)15-24(18-36-27)32(33,34)35)11-7-25(17-31)37-12-8-21(9-13-37)22-5-6-28(41-3)26(16-22)29(39)42-4;1-20(2)31(30(40)38-14-10-28-24(19-38)15-25(18-36-28)32(33,34)35)11-7-26(17-31)37-12-8-22(9-13-37)27-16-23(29(39)41-4)6-5-21(27)3;1-20(2)31(30(40)38-15-11-28-23(19-38)16-24(18-36-28)32(33,34)35)12-8-25(17-31)37-13-9-22(10-14-37)26-6-5-7-27(21(26)3)29(39)41-4;1-21(2)31(29(39)38-15-11-28-24(20-38)17-26(19-36-28)32(33,34)35)12-8-27(18-31)37-13-9-22(10-14-37)23-6-5-7-25(16-23)30(3,4)40;1-21(2)24-6-5-7-25(16-24)23-9-13-37(14-10-23)28-8-12-31(18-28,22(3)4)30(39)38-15-11-29-26(20-38)17-27(19-36-29)32(33,34)35;1-19(2)30(29(40)38-13-9-27-22(18-38)14-23(17-36-27)31(33,34)35)10-6-24(16-30)37-11-7-20(8-12-37)25-15-21(28(39)41-3)4-5-26(25)32;1-20(2)30(29(39)37-14-10-27-24(19-37)16-25(18-35-27)31(32,33)34)11-7-26(17-30)36-12-8-21(9-13-36)22-5-4-6-23(15-22)28(38)40-3;1-20(2)30(29(39)36-15-11-21-6-7-26(31(32,33)34)17-25(21)19-36)12-8-27(18-30)35-13-9-22(10-14-35)23-4-3-5-24(16-23)28(37)38/h6-9,11,18-19,22-23,25,28,31H,5,10,12-17,20-21H2,1-4H3;6-8,15-16,18,21-22,27-28H,5,9-14,17,19-20H2,1-4H3;5-6,15-16,18,20-21,25H,7-14,17,19H2,1-4H3;5-6,15-16,18,20,22,26H,7-14,17,19H2,1-4H3;5-7,16,18,20,22,25H,8-15,17,19H2,1-4H3;5-7,16-17,19,21-22,27,40H,8-15,18,20H2,1-4H3;5-7,16-17,19,22-23,28H,1,8-15,18,20H2,2-4H3;4-5,14-15,17,19-20,24H,6-13,16,18H2,1-3H3;4-6,15-16,18,20-21,26H,7-14,17,19H2,1-3H3;3-7,16-17,20,22,27H,8-15,18-19H2,1-2H3,(H,37,38)/t23?,25?,28-,31?,34+;22?,27-,28?,32+;25-,31+;26-,31+;25-,31+;27-,31+;28-,31+;24-,30+;26-,30+;27-,30-/m1111111110/s1
InChIKeyNSMDHLLTBJZSPU-LONRRMQISA-N
XLogP64.65
TPSA586.24 Ų
H-Bond Donors2
H-Bond Acceptors44
Rotatable Bonds53
Heavy Atoms407
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005673.83
LogP ≤ 564.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1044

Analyze ethyl 3-[2-methyl-4-[(1R,3S)-3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]cyclohexyl]benzoate;ethyl 3-[3-methyl-1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoate;[(1S,3R)-3-[4-[3-(2-hydroxypropan-2-yl)phenyl]piperidin-1-yl]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;methyl 4-fluoro-3-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoate;methyl 2-methoxy-5-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoate;methyl 2-methyl-3-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoate;methyl 4-methyl-3-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoate;methyl 3-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoate;[(1S,3R)-1-propan-2-yl-3-[4-(3-prop-1-en-2-ylphenyl)piperidin-1-yl]cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;3-[1-[(1S,3S)-3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-methyl-4-[(1R,3S)-3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]cyclohexyl]benzoate;ethyl 3-[3-methyl-1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoate;[(1S,3R)-3-[4-[3-(2-hydroxypropan-2-yl)phenyl]piperidin-1-yl]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;methyl 4-fluoro-3-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoate;methyl 2-methoxy-5-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoate;methyl 2-methyl-3-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoate;methyl 4-methyl-3-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoate;methyl 3-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoate;[(1S,3R)-1-propan-2-yl-3-[4-(3-prop-1-en-2-ylphenyl)piperidin-1-yl]cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;3-[1-[(1S,3S)-3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid?
The IUPAC name of ethyl 3-[2-methyl-4-[(1R,3S)-3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]cyclohexyl]benzoate;ethyl 3-[3-methyl-1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoate;[(1S,3R)-3-[4-[3-(2-hydroxypropan-2-yl)phenyl]piperidin-1-yl]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;methyl 4-fluoro-3-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoate;methyl 2-methoxy-5-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoate;methyl 2-methyl-3-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoate;methyl 4-methyl-3-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoate;methyl 3-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoate;[(1S,3R)-1-propan-2-yl-3-[4-(3-prop-1-en-2-ylphenyl)piperidin-1-yl]cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;3-[1-[(1S,3S)-3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid (CID 159872088) is ethyl 3-[2-methyl-4-[(1R,3S)-3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]cyclohexyl]benzoate;ethyl 3-[3-methyl-1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoate;[(1S,3R)-3-[4-[3-(2-hydroxypropan-2-yl)phenyl]piperidin-1-yl]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;methyl 4-fluoro-3-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoate;methyl 2-methoxy-5-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoate;methyl 2-methyl-3-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoate;methyl 4-methyl-3-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoate;methyl 3-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoate;[(1S,3R)-1-propan-2-yl-3-[4-(3-prop-1-en-2-ylphenyl)piperidin-1-yl]cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;3-[1-[(1S,3S)-3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid.
What is the SMILES notation for ethyl 3-[2-methyl-4-[(1R,3S)-3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]cyclohexyl]benzoate;ethyl 3-[3-methyl-1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoate;[(1S,3R)-3-[4-[3-(2-hydroxypropan-2-yl)phenyl]piperidin-1-yl]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;methyl 4-fluoro-3-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoate;methyl 2-methoxy-5-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoate;methyl 2-methyl-3-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoate;methyl 4-methyl-3-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoate;methyl 3-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoate;[(1S,3R)-1-propan-2-yl-3-[4-(3-prop-1-en-2-ylphenyl)piperidin-1-yl]cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;3-[1-[(1S,3S)-3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid?
The canonical SMILES for ethyl 3-[2-methyl-4-[(1R,3S)-3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]cyclohexyl]benzoate;ethyl 3-[3-methyl-1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoate;[(1S,3R)-3-[4-[3-(2-hydroxypropan-2-yl)phenyl]piperidin-1-yl]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;methyl 4-fluoro-3-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoate;methyl 2-methoxy-5-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoate;methyl 2-methyl-3-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoate;methyl 4-methyl-3-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoate;methyl 3-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoate;[(1S,3R)-1-propan-2-yl-3-[4-(3-prop-1-en-2-ylphenyl)piperidin-1-yl]cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;3-[1-[(1S,3S)-3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid is C=C(C)c1cccc(C2CCN([C@@H]3CC[C@@](C(=O)N4CCc5ncc(C(F)(F)F)cc5C4)(C(C)C)C3)CC2)c1.CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@H](N2CCC(c3cccc(C(=O)O)c3)CC2)C1.CC(C)[C@]1(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)CC[C@@H](N2CCC(c3cccc(C(C)(C)O)c3)CC2)C1.CCOC(=O)c1cccc(C2CCC([C@@H]3CC[C@@](C(=O)N4CCc5ccc(C(F)(F)F)cc5C4)(C(C)C)C3)CC2C)c1.CCOC(=O)c1cccc(C2CCN([C@@H]3CC[C@@](C(=O)N4CCc5ncc(C(F)(F)F)cc5C4)(C(C)C)C3)CC2C)c1.COC(=O)c1cc(C2CCN([C@@H]3CC[C@@](C(=O)N4CCc5ncc(C(F)(F)F)cc5C4)(C(C)C)C3)CC2)ccc1OC.COC(=O)c1ccc(C)c(C2CCN([C@@H]3CC[C@@](C(=O)N4CCc5ncc(C(F)(F)F)cc5C4)(C(C)C)C3)CC2)c1.COC(=O)c1ccc(F)c(C2CCN([C@@H]3CC[C@@](C(=O)N4CCc5ncc(C(F)(F)F)cc5C4)(C(C)C)C3)CC2)c1.COC(=O)c1cccc(C2CCN([C@@H]3CC[C@@](C(=O)N4CCc5ncc(C(F)(F)F)cc5C4)(C(C)C)C3)CC2)c1.COC(=O)c1cccc(C2CCN([C@@H]3CC[C@@](C(=O)N4CCc5ncc(C(F)(F)F)cc5C4)(C(C)C)C3)CC2)c1C.
What is the InChIKey of ethyl 3-[2-methyl-4-[(1R,3S)-3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]cyclohexyl]benzoate;ethyl 3-[3-methyl-1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoate;[(1S,3R)-3-[4-[3-(2-hydroxypropan-2-yl)phenyl]piperidin-1-yl]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;methyl 4-fluoro-3-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoate;methyl 2-methoxy-5-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoate;methyl 2-methyl-3-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoate;methyl 4-methyl-3-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoate;methyl 3-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoate;[(1S,3R)-1-propan-2-yl-3-[4-(3-prop-1-en-2-ylphenyl)piperidin-1-yl]cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;3-[1-[(1S,3S)-3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid?
The InChIKey is NSMDHLLTBJZSPU-LONRRMQISA-N. The full InChI is InChI=1S/C35H44F3NO3.C33H42F3N3O3.C32H40F3N3O4.2C32H40F3N3O3.C32H42F3N3O2.C32H40F3N3O.C31H37F4N3O3.C31H38F3N3O3.C31H37F3N2O3/c1-5-42-32(40)27-8-6-7-26(18-27)31-12-10-25(17-23(31)4)28-13-15-34(20-28,22(2)3)33(41)39-16-14-24-9-11-30(35(36,37)38)19-29(24)21-39;1-5-42-30(40)24-8-6-7-23(15-24)28-10-13-38(19-22(28)4)27-9-12-32(17-27,21(2)3)31(41)39-14-11-29-25(20-39)16-26(18-37-29)33(34,35)36;1-20(2)31(30(40)38-14-10-27-23(19-38)15-24(18-36-27)32(33,34)35)11-7-25(17-31)37-12-8-21(9-13-37)22-5-6-28(41-3)26(16-22)29(39)42-4;1-20(2)31(30(40)38-14-10-28-24(19-38)15-25(18-36-28)32(33,34)35)11-7-26(17-31)37-12-8-22(9-13-37)27-16-23(29(39)41-4)6-5-21(27)3;1-20(2)31(30(40)38-15-11-28-23(19-38)16-24(18-36-28)32(33,34)35)12-8-25(17-31)37-13-9-22(10-14-37)26-6-5-7-27(21(26)3)29(39)41-4;1-21(2)31(29(39)38-15-11-28-24(20-38)17-26(19-36-28)32(33,34)35)12-8-27(18-31)37-13-9-22(10-14-37)23-6-5-7-25(16-23)30(3,4)40;1-21(2)24-6-5-7-25(16-24)23-9-13-37(14-10-23)28-8-12-31(18-28,22(3)4)30(39)38-15-11-29-26(20-38)17-27(19-36-29)32(33,34)35;1-19(2)30(29(40)38-13-9-27-22(18-38)14-23(17-36-27)31(33,34)35)10-6-24(16-30)37-11-7-20(8-12-37)25-15-21(28(39)41-3)4-5-26(25)32;1-20(2)30(29(39)37-14-10-27-24(19-37)16-25(18-35-27)31(32,33)34)11-7-26(17-30)36-12-8-21(9-13-36)22-5-4-6-23(15-22)28(38)40-3;1-20(2)30(29(39)36-15-11-21-6-7-26(31(32,33)34)17-25(21)19-36)12-8-27(18-30)35-13-9-22(10-14-35)23-4-3-5-24(16-23)28(37)38/h6-9,11,18-19,22-23,25,28,31H,5,10,12-17,20-21H2,1-4H3;6-8,15-16,18,21-22,27-28H,5,9-14,17,19-20H2,1-4H3;5-6,15-16,18,20-21,25H,7-14,17,19H2,1-4H3;5-6,15-16,18,20,22,26H,7-14,17,19H2,1-4H3;5-7,16,18,20,22,25H,8-15,17,19H2,1-4H3;5-7,16-17,19,21-22,27,40H,8-15,18,20H2,1-4H3;5-7,16-17,19,22-23,28H,1,8-15,18,20H2,2-4H3;4-5,14-15,17,19-20,24H,6-13,16,18H2,1-3H3;4-6,15-16,18,20-21,26H,7-14,17,19H2,1-3H3;3-7,16-17,20,22,27H,8-15,18-19H2,1-2H3,(H,37,38)/t23?,25?,28-,31?,34+;22?,27-,28?,32+;25-,31+;26-,31+;25-,31+;27-,31+;28-,31+;24-,30+;26-,30+;27-,30-/m1111111110/s1.
What are the key properties of ethyl 3-[2-methyl-4-[(1R,3S)-3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]cyclohexyl]benzoate;ethyl 3-[3-methyl-1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoate;[(1S,3R)-3-[4-[3-(2-hydroxypropan-2-yl)phenyl]piperidin-1-yl]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;methyl 4-fluoro-3-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoate;methyl 2-methoxy-5-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoate;methyl 2-methyl-3-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoate;methyl 4-methyl-3-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoate;methyl 3-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoate;[(1S,3R)-1-propan-2-yl-3-[4-(3-prop-1-en-2-ylphenyl)piperidin-1-yl]cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;3-[1-[(1S,3S)-3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid?
ethyl 3-[2-methyl-4-[(1R,3S)-3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]cyclohexyl]benzoate;ethyl 3-[3-methyl-1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoate;[(1S,3R)-3-[4-[3-(2-hydroxypropan-2-yl)phenyl]piperidin-1-yl]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;methyl 4-fluoro-3-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoate;methyl 2-methoxy-5-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoate;methyl 2-methyl-3-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoate;methyl 4-methyl-3-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoate;methyl 3-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoate;[(1S,3R)-1-propan-2-yl-3-[4-(3-prop-1-en-2-ylphenyl)piperidin-1-yl]cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;3-[1-[(1S,3S)-3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid has a molecular weight of 5673.83 g/mol, XLogP of 64.65, 53 rotatable bonds, 2 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-methyl-4-[(1R,3S)-3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]cyclohexyl]benzoate;ethyl 3-[3-methyl-1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoate;[(1S,3R)-3-[4-[3-(2-hydroxypropan-2-yl)phenyl]piperidin-1-yl]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;methyl 4-fluoro-3-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoate;methyl 2-methoxy-5-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoate;methyl 2-methyl-3-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoate;methyl 4-methyl-3-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoate;methyl 3-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoate;[(1S,3R)-1-propan-2-yl-3-[4-(3-prop-1-en-2-ylphenyl)piperidin-1-yl]cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;3-[1-[(1S,3S)-3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid is sourced from PubChem (CID 159872088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).