2-fluoro-5-[1-[(1R,3S)-3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;2-fluoro-5-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;3-fluoro-5-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;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]benzoic acid;3-[(3S,4R)-3-methyl-1-[(1R,3S)-3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;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]benzoic acid;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]benzoic acid;3-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;2-[3-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]phenyl]acetic acid;[(1S,3R)-1-propan-2-yl-3-[4-(trifluoromethyl)piperidin-1-yl]cyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone

C301H362F37N27O28 — CID 159684785

IUPAC2-fluoro-5-[1-[(1R,3S)-3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;2-fluoro-5-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;3-fluoro-5-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;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]benzoic acid;3-[(3S,4R)-3-methyl-1-[(1R,3S)-3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;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]benzoic acid;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]benzoic acid;3-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;2-[3-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]phenyl]acetic acid;[(1S,3R)-1-propan-2-yl-3-[4-(trifluoromethyl)piperidin-1-yl]cyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
SMILESCC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](N2CCC(C(F)(F)F)CC2)C1.CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](N2CCC(c3ccc(F)c(C(=O)O)c3)CC2)C1.CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](N2CC[C@@H](c3cccc(C(=O)O)c3)[C@H](C)C2)C1.CC(C)[C@]1(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)CC[C@@H](N2CCC(c3cc(C(=O)O)ccc3F)CC2)C1.CC(C)[C@]1(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)CC[C@@H](N2CCC(c3cc(F)cc(C(=O)O)c3)CC2)C1.CC(C)[C@]1(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)CC[C@@H](N2CCC(c3ccc(F)c(C(=O)O)c3)CC2)C1.CC(C)[C@]1(C(=O)N2CCc3ncc(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(CC(=O)O)c3)CC2)C1.CC1CN([C@@H]2CC[C@@](C(=O)N3CCc4ncc(C(F)(F)F)cc4C3)(C(C)C)C2)CCC1c1cccc(C(=O)O)c1.Cc1c(C(=O)O)cccc1C1CCN([C@@H]2CC[C@@](C(=O)N3CCc4ncc(C(F)(F)F)cc4C3)(C(C)C)C2)CC1
InChIInChI=1S/C32H39F3N2O3.C31H36F4N2O3.3C31H38F3N3O3.3C30H35F4N3O3.C30H36F3N3O3.C25H32F6N2O/c1-20(2)31(30(40)37-13-10-22-7-8-26(32(33,34)35)16-25(22)19-37)12-9-27(17-31)36-14-11-28(21(3)18-36)23-5-4-6-24(15-23)29(38)39;1-19(2)30(29(40)37-14-10-20-3-5-24(31(33,34)35)15-23(20)18-37)11-7-25(17-30)36-12-8-21(9-13-36)22-4-6-27(32)26(16-22)28(38)39;1-19(2)30(29(40)37-14-10-27-22(18-37)15-23(17-35-27)31(32,33)34)11-7-24(16-30)36-12-8-21(9-13-36)25-5-4-6-26(20(25)3)28(38)39;1-19(2)30(29(40)37-12-9-27-23(18-37)14-24(16-35-27)31(32,33)34)10-7-25(15-30)36-11-8-26(20(3)17-36)21-5-4-6-22(13-21)28(38)39;1-20(2)30(29(40)37-13-9-27-24(19-37)16-25(18-35-27)31(32,33)34)10-6-26(17-30)36-11-7-22(8-12-36)23-5-3-4-21(14-23)15-28(38)39;1-18(2)29(28(40)37-10-6-26-22(17-37)12-23(16-35-26)30(32,33)34)7-3-25(15-29)36-8-4-19(5-9-36)20-11-21(27(38)39)14-24(31)13-20;1-18(2)29(28(40)37-12-8-26-21(17-37)13-22(16-35-26)30(32,33)34)9-5-23(15-29)36-10-6-19(7-11-36)24-14-20(27(38)39)3-4-25(24)31;1-18(2)29(28(40)37-12-8-26-21(17-37)13-22(16-35-26)30(32,33)34)9-5-23(15-29)36-10-6-19(7-11-36)20-3-4-25(31)24(14-20)27(38)39;1-19(2)29(28(39)36-13-9-26-23(18-36)15-24(17-34-26)30(31,32)33)10-6-25(16-29)35-11-7-20(8-12-35)21-4-3-5-22(14-21)27(37)38;1-16(2)23(9-5-21(14-23)32-11-7-19(8-12-32)24(26,27)28)22(34)33-10-6-17-3-4-20(25(29,30)31)13-18(17)15-33/h4-8,15-16,20-21,27-28H,9-14,17-19H2,1-3H3,(H,38,39);3-6,15-16,19,21,25H,7-14,17-18H2,1-2H3,(H,38,39);4-6,15,17,19,21,24H,7-14,16,18H2,1-3H3,(H,38,39);4-6,13-14,16,19-20,25-26H,7-12,15,17-18H2,1-3H3,(H,38,39);3-5,14,16,18,20,22,26H,6-13,15,17,19H2,1-2H3,(H,38,39);11-14,16,18-19,25H,3-10,15,17H2,1-2H3,(H,38,39);2*3-4,13-14,16,18-19,23H,5-12,15,17H2,1-2H3,(H,38,39);3-5,14-15,17,19-20,25H,6-13,16,18H2,1-2H3,(H,37,38);3-4,13,16,19,21H,5-12,14-15H2,1-2H3/t21-,27-,28-,31+;25-,30+;24-,30+;20?,25-,26?,30+;26-,30+;25-,29+;2*23-,29+;25-,29+;21-,23+/m1111111111/s1
InChIKeyMVQNWXNITQAVSN-ANDJMLQISA-N
MW5509.29 g/mol
LogP60.38
Rot. Bonds49

About 2-fluoro-5-[1-[(1R,3S)-3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;2-fluoro-5-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;3-fluoro-5-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;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]benzoic acid;3-[(3S,4R)-3-methyl-1-[(1R,3S)-3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;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]benzoic acid;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]benzoic acid;3-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;2-[3-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]phenyl]acetic acid;[(1S,3R)-1-propan-2-yl-3-[4-(trifluoromethyl)piperidin-1-yl]cyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone

2-fluoro-5-[1-[(1R,3S)-3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;2-fluoro-5-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;3-fluoro-5-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;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]benzoic acid;3-[(3S,4R)-3-methyl-1-[(1R,3S)-3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;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]benzoic acid;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]benzoic acid;3-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;2-[3-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]phenyl]acetic acid;[(1S,3R)-1-propan-2-yl-3-[4-(trifluoromethyl)piperidin-1-yl]cyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone (PubChem CID 159684785) has the molecular formula C301H362F37N27O28 and a molecular weight of 5509.29 g/mol. Its IUPAC name is 2-fluoro-5-[1-[(1R,3S)-3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;2-fluoro-5-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;3-fluoro-5-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;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]benzoic acid;3-[(3S,4R)-3-methyl-1-[(1R,3S)-3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;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]benzoic acid;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]benzoic acid;3-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;2-[3-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]phenyl]acetic acid;[(1S,3R)-1-propan-2-yl-3-[4-(trifluoromethyl)piperidin-1-yl]cyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone.

Molecular Properties

Compound Name2-fluoro-5-[1-[(1R,3S)-3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;2-fluoro-5-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;3-fluoro-5-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;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]benzoic acid;3-[(3S,4R)-3-methyl-1-[(1R,3S)-3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;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]benzoic acid;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]benzoic acid;3-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;2-[3-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]phenyl]acetic acid;[(1S,3R)-1-propan-2-yl-3-[4-(trifluoromethyl)piperidin-1-yl]cyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
PubChem CID159684785
Molecular FormulaC301H362F37N27O28
Molecular Weight5509.29 g/mol
Exact Mass5505.71
IUPAC Name2-fluoro-5-[1-[(1R,3S)-3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;2-fluoro-5-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;3-fluoro-5-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;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]benzoic acid;3-[(3S,4R)-3-methyl-1-[(1R,3S)-3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;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]benzoic acid;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]benzoic acid;3-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;2-[3-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]phenyl]acetic acid;[(1S,3R)-1-propan-2-yl-3-[4-(trifluoromethyl)piperidin-1-yl]cyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
SMILESCC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](N2CCC(C(F)(F)F)CC2)C1.CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](N2CCC(c3ccc(F)c(C(=O)O)c3)CC2)C1.CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](N2CC[C@@H](c3cccc(C(=O)O)c3)[C@H](C)C2)C1.CC(C)[C@]1(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)CC[C@@H](N2CCC(c3cc(C(=O)O)ccc3F)CC2)C1.CC(C)[C@]1(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)CC[C@@H](N2CCC(c3cc(F)cc(C(=O)O)c3)CC2)C1.CC(C)[C@]1(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)CC[C@@H](N2CCC(c3ccc(F)c(C(=O)O)c3)CC2)C1.CC(C)[C@]1(C(=O)N2CCc3ncc(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(CC(=O)O)c3)CC2)C1.CC1CN([C@@H]2CC[C@@](C(=O)N3CCc4ncc(C(F)(F)F)cc4C3)(C(C)C)C2)CCC1c1cccc(C(=O)O)c1.Cc1c(C(=O)O)cccc1C1CCN([C@@H]2CC[C@@](C(=O)N3CCc4ncc(C(F)(F)F)cc4C3)(C(C)C)C2)CC1
InChIInChI=1S/C32H39F3N2O3.C31H36F4N2O3.3C31H38F3N3O3.3C30H35F4N3O3.C30H36F3N3O3.C25H32F6N2O/c1-20(2)31(30(40)37-13-10-22-7-8-26(32(33,34)35)16-25(22)19-37)12-9-27(17-31)36-14-11-28(21(3)18-36)23-5-4-6-24(15-23)29(38)39;1-19(2)30(29(40)37-14-10-20-3-5-24(31(33,34)35)15-23(20)18-37)11-7-25(17-30)36-12-8-21(9-13-36)22-4-6-27(32)26(16-22)28(38)39;1-19(2)30(29(40)37-14-10-27-22(18-37)15-23(17-35-27)31(32,33)34)11-7-24(16-30)36-12-8-21(9-13-36)25-5-4-6-26(20(25)3)28(38)39;1-19(2)30(29(40)37-12-9-27-23(18-37)14-24(16-35-27)31(32,33)34)10-7-25(15-30)36-11-8-26(20(3)17-36)21-5-4-6-22(13-21)28(38)39;1-20(2)30(29(40)37-13-9-27-24(19-37)16-25(18-35-27)31(32,33)34)10-6-26(17-30)36-11-7-22(8-12-36)23-5-3-4-21(14-23)15-28(38)39;1-18(2)29(28(40)37-10-6-26-22(17-37)12-23(16-35-26)30(32,33)34)7-3-25(15-29)36-8-4-19(5-9-36)20-11-21(27(38)39)14-24(31)13-20;1-18(2)29(28(40)37-12-8-26-21(17-37)13-22(16-35-26)30(32,33)34)9-5-23(15-29)36-10-6-19(7-11-36)24-14-20(27(38)39)3-4-25(24)31;1-18(2)29(28(40)37-12-8-26-21(17-37)13-22(16-35-26)30(32,33)34)9-5-23(15-29)36-10-6-19(7-11-36)20-3-4-25(31)24(14-20)27(38)39;1-19(2)29(28(39)36-13-9-26-23(18-36)15-24(17-34-26)30(31,32)33)10-6-25(16-29)35-11-7-20(8-12-35)21-4-3-5-22(14-21)27(37)38;1-16(2)23(9-5-21(14-23)32-11-7-19(8-12-32)24(26,27)28)22(34)33-10-6-17-3-4-20(25(29,30)31)13-18(17)15-33/h4-8,15-16,20-21,27-28H,9-14,17-19H2,1-3H3,(H,38,39);3-6,15-16,19,21,25H,7-14,17-18H2,1-2H3,(H,38,39);4-6,15,17,19,21,24H,7-14,16,18H2,1-3H3,(H,38,39);4-6,13-14,16,19-20,25-26H,7-12,15,17-18H2,1-3H3,(H,38,39);3-5,14,16,18,20,22,26H,6-13,15,17,19H2,1-2H3,(H,38,39);11-14,16,18-19,25H,3-10,15,17H2,1-2H3,(H,38,39);2*3-4,13-14,16,18-19,23H,5-12,15,17H2,1-2H3,(H,38,39);3-5,14-15,17,19-20,25H,6-13,16,18H2,1-2H3,(H,37,38);3-4,13,16,19,21H,5-12,14-15H2,1-2H3/t21-,27-,28-,31+;25-,30+;24-,30+;20?,25-,26?,30+;26-,30+;25-,29+;2*23-,29+;25-,29+;21-,23+/m1111111111/s1
InChIKeyMVQNWXNITQAVSN-ANDJMLQISA-N
XLogP60.38
TPSA661.43 Ų
H-Bond Donors9
H-Bond Acceptors36
Rotatable Bonds49
Heavy Atoms393
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005509.29
LogP ≤ 560.38
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1036

Analyze 2-fluoro-5-[1-[(1R,3S)-3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;2-fluoro-5-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;3-fluoro-5-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;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]benzoic acid;3-[(3S,4R)-3-methyl-1-[(1R,3S)-3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;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]benzoic acid;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]benzoic acid;3-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;2-[3-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]phenyl]acetic acid;[(1S,3R)-1-propan-2-yl-3-[4-(trifluoromethyl)piperidin-1-yl]cyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone 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 2-fluoro-5-[1-[(1R,3S)-3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;2-fluoro-5-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;3-fluoro-5-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;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]benzoic acid;3-[(3S,4R)-3-methyl-1-[(1R,3S)-3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;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]benzoic acid;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]benzoic acid;3-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;2-[3-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]phenyl]acetic acid;[(1S,3R)-1-propan-2-yl-3-[4-(trifluoromethyl)piperidin-1-yl]cyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
The IUPAC name of 2-fluoro-5-[1-[(1R,3S)-3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;2-fluoro-5-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;3-fluoro-5-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;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]benzoic acid;3-[(3S,4R)-3-methyl-1-[(1R,3S)-3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;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]benzoic acid;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]benzoic acid;3-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;2-[3-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]phenyl]acetic acid;[(1S,3R)-1-propan-2-yl-3-[4-(trifluoromethyl)piperidin-1-yl]cyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone (CID 159684785) is 2-fluoro-5-[1-[(1R,3S)-3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;2-fluoro-5-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;3-fluoro-5-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;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]benzoic acid;3-[(3S,4R)-3-methyl-1-[(1R,3S)-3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;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]benzoic acid;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]benzoic acid;3-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;2-[3-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]phenyl]acetic acid;[(1S,3R)-1-propan-2-yl-3-[4-(trifluoromethyl)piperidin-1-yl]cyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone.
What is the SMILES notation for 2-fluoro-5-[1-[(1R,3S)-3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;2-fluoro-5-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;3-fluoro-5-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;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]benzoic acid;3-[(3S,4R)-3-methyl-1-[(1R,3S)-3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;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]benzoic acid;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]benzoic acid;3-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;2-[3-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]phenyl]acetic acid;[(1S,3R)-1-propan-2-yl-3-[4-(trifluoromethyl)piperidin-1-yl]cyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
The canonical SMILES for 2-fluoro-5-[1-[(1R,3S)-3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;2-fluoro-5-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;3-fluoro-5-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;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]benzoic acid;3-[(3S,4R)-3-methyl-1-[(1R,3S)-3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;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]benzoic acid;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]benzoic acid;3-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;2-[3-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]phenyl]acetic acid;[(1S,3R)-1-propan-2-yl-3-[4-(trifluoromethyl)piperidin-1-yl]cyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone is CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](N2CCC(C(F)(F)F)CC2)C1.CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](N2CCC(c3ccc(F)c(C(=O)O)c3)CC2)C1.CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](N2CC[C@@H](c3cccc(C(=O)O)c3)[C@H](C)C2)C1.CC(C)[C@]1(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)CC[C@@H](N2CCC(c3cc(C(=O)O)ccc3F)CC2)C1.CC(C)[C@]1(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)CC[C@@H](N2CCC(c3cc(F)cc(C(=O)O)c3)CC2)C1.CC(C)[C@]1(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)CC[C@@H](N2CCC(c3ccc(F)c(C(=O)O)c3)CC2)C1.CC(C)[C@]1(C(=O)N2CCc3ncc(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(CC(=O)O)c3)CC2)C1.CC1CN([C@@H]2CC[C@@](C(=O)N3CCc4ncc(C(F)(F)F)cc4C3)(C(C)C)C2)CCC1c1cccc(C(=O)O)c1.Cc1c(C(=O)O)cccc1C1CCN([C@@H]2CC[C@@](C(=O)N3CCc4ncc(C(F)(F)F)cc4C3)(C(C)C)C2)CC1.
What is the InChIKey of 2-fluoro-5-[1-[(1R,3S)-3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;2-fluoro-5-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;3-fluoro-5-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;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]benzoic acid;3-[(3S,4R)-3-methyl-1-[(1R,3S)-3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;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]benzoic acid;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]benzoic acid;3-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;2-[3-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]phenyl]acetic acid;[(1S,3R)-1-propan-2-yl-3-[4-(trifluoromethyl)piperidin-1-yl]cyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
The InChIKey is MVQNWXNITQAVSN-ANDJMLQISA-N. The full InChI is InChI=1S/C32H39F3N2O3.C31H36F4N2O3.3C31H38F3N3O3.3C30H35F4N3O3.C30H36F3N3O3.C25H32F6N2O/c1-20(2)31(30(40)37-13-10-22-7-8-26(32(33,34)35)16-25(22)19-37)12-9-27(17-31)36-14-11-28(21(3)18-36)23-5-4-6-24(15-23)29(38)39;1-19(2)30(29(40)37-14-10-20-3-5-24(31(33,34)35)15-23(20)18-37)11-7-25(17-30)36-12-8-21(9-13-36)22-4-6-27(32)26(16-22)28(38)39;1-19(2)30(29(40)37-14-10-27-22(18-37)15-23(17-35-27)31(32,33)34)11-7-24(16-30)36-12-8-21(9-13-36)25-5-4-6-26(20(25)3)28(38)39;1-19(2)30(29(40)37-12-9-27-23(18-37)14-24(16-35-27)31(32,33)34)10-7-25(15-30)36-11-8-26(20(3)17-36)21-5-4-6-22(13-21)28(38)39;1-20(2)30(29(40)37-13-9-27-24(19-37)16-25(18-35-27)31(32,33)34)10-6-26(17-30)36-11-7-22(8-12-36)23-5-3-4-21(14-23)15-28(38)39;1-18(2)29(28(40)37-10-6-26-22(17-37)12-23(16-35-26)30(32,33)34)7-3-25(15-29)36-8-4-19(5-9-36)20-11-21(27(38)39)14-24(31)13-20;1-18(2)29(28(40)37-12-8-26-21(17-37)13-22(16-35-26)30(32,33)34)9-5-23(15-29)36-10-6-19(7-11-36)24-14-20(27(38)39)3-4-25(24)31;1-18(2)29(28(40)37-12-8-26-21(17-37)13-22(16-35-26)30(32,33)34)9-5-23(15-29)36-10-6-19(7-11-36)20-3-4-25(31)24(14-20)27(38)39;1-19(2)29(28(39)36-13-9-26-23(18-36)15-24(17-34-26)30(31,32)33)10-6-25(16-29)35-11-7-20(8-12-35)21-4-3-5-22(14-21)27(37)38;1-16(2)23(9-5-21(14-23)32-11-7-19(8-12-32)24(26,27)28)22(34)33-10-6-17-3-4-20(25(29,30)31)13-18(17)15-33/h4-8,15-16,20-21,27-28H,9-14,17-19H2,1-3H3,(H,38,39);3-6,15-16,19,21,25H,7-14,17-18H2,1-2H3,(H,38,39);4-6,15,17,19,21,24H,7-14,16,18H2,1-3H3,(H,38,39);4-6,13-14,16,19-20,25-26H,7-12,15,17-18H2,1-3H3,(H,38,39);3-5,14,16,18,20,22,26H,6-13,15,17,19H2,1-2H3,(H,38,39);11-14,16,18-19,25H,3-10,15,17H2,1-2H3,(H,38,39);2*3-4,13-14,16,18-19,23H,5-12,15,17H2,1-2H3,(H,38,39);3-5,14-15,17,19-20,25H,6-13,16,18H2,1-2H3,(H,37,38);3-4,13,16,19,21H,5-12,14-15H2,1-2H3/t21-,27-,28-,31+;25-,30+;24-,30+;20?,25-,26?,30+;26-,30+;25-,29+;2*23-,29+;25-,29+;21-,23+/m1111111111/s1.
What are the key properties of 2-fluoro-5-[1-[(1R,3S)-3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;2-fluoro-5-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;3-fluoro-5-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;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]benzoic acid;3-[(3S,4R)-3-methyl-1-[(1R,3S)-3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;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]benzoic acid;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]benzoic acid;3-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;2-[3-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]phenyl]acetic acid;[(1S,3R)-1-propan-2-yl-3-[4-(trifluoromethyl)piperidin-1-yl]cyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone?
2-fluoro-5-[1-[(1R,3S)-3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;2-fluoro-5-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;3-fluoro-5-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;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]benzoic acid;3-[(3S,4R)-3-methyl-1-[(1R,3S)-3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;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]benzoic acid;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]benzoic acid;3-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;2-[3-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]phenyl]acetic acid;[(1S,3R)-1-propan-2-yl-3-[4-(trifluoromethyl)piperidin-1-yl]cyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone has a molecular weight of 5509.29 g/mol, XLogP of 60.38, 49 rotatable bonds, 9 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[1-[(1R,3S)-3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;2-fluoro-5-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;3-fluoro-5-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;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]benzoic acid;3-[(3S,4R)-3-methyl-1-[(1R,3S)-3-propan-2-yl-3-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;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]benzoic acid;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]benzoic acid;3-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]benzoic acid;2-[3-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]phenyl]acetic acid;[(1S,3R)-1-propan-2-yl-3-[4-(trifluoromethyl)piperidin-1-yl]cyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone is sourced from PubChem (CID 159684785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).