[(1S,3R)-3-(3,3-difluoropiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-3-(4,4-difluoropiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-3-(3,3-difluoropyrrolidin-1-yl)-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-3-[(3R)-3-fluoropyrrolidin-1-yl]-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-3-[(3S)-3-fluoropyrrolidin-1-yl]-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-3-piperidin-1-yl-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-1-propan-2-yl-3-pyrrolidin-1-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-1-propan-2-yl-3-[3-(trifluoromethyl)piperidin-1-yl]cyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-1-propan-2-yl-3-[3-(trifluoromethyl)pyrrolidin-1-yl]cyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;2,2,2-trifluoro-N-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]acetamide

C238H309F47N22O11 — CID 159692331

IUPAC[(1S,3R)-3-(3,3-difluoropiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-3-(4,4-difluoropiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-3-(3,3-difluoropyrrolidin-1-yl)-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-3-[(3R)-3-fluoropyrrolidin-1-yl]-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-3-[(3S)-3-fluoropyrrolidin-1-yl]-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-3-piperidin-1-yl-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-1-propan-2-yl-3-pyrrolidin-1-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-1-propan-2-yl-3-[3-(trifluoromethyl)piperidin-1-yl]cyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-1-propan-2-yl-3-[3-(trifluoromethyl)pyrrolidin-1-yl]cyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;2,2,2-trifluoro-N-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]acetamide
SMILESCC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](N2CCC(C(F)(F)F)C2)C1.CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](N2CCC(F)(F)C2)C1.CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](N2CCC(F)(F)CC2)C1.CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](N2CCCC(C(F)(F)F)C2)C1.CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](N2CCCC(F)(F)C2)C1.CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](N2CCCC2)C1.CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](N2CCCCC2)C1.CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](N2CC[C@@H](F)C2)C1.CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](N2CC[C@H](F)C2)C1.CC(C)[C@]1(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)CC[C@@H](N2CCC(NC(=O)C(F)(F)F)CC2)C1
InChIInChI=1S/C25H32F6N4O2.C25H32F6N2O.C24H30F6N2O.2C24H31F5N2O.C24H33F3N2O.C23H29F5N2O.2C23H30F4N2O.C23H31F3N2O/c1-15(2)23(22(37)35-10-6-20-16(14-35)11-17(13-32-20)24(26,27)28)7-3-19(12-23)34-8-4-18(5-9-34)33-21(36)25(29,30)31;1-16(2)23(9-7-21(13-23)32-10-3-4-20(15-32)25(29,30)31)22(34)33-11-8-17-5-6-19(24(26,27)28)12-18(17)14-33;1-15(2)22(8-5-20(12-22)31-10-7-19(14-31)24(28,29)30)21(33)32-9-6-16-3-4-18(23(25,26)27)11-17(16)13-32;1-16(2)22(9-6-20(13-22)31-10-3-8-23(25,26)15-31)21(32)30-11-7-17-4-5-19(24(27,28)29)12-18(17)14-30;1-16(2)22(7-5-20(14-22)30-11-8-23(25,26)9-12-30)21(32)31-10-6-17-3-4-19(24(27,28)29)13-18(17)15-31;1-17(2)23(10-8-21(15-23)28-11-4-3-5-12-28)22(30)29-13-9-18-6-7-20(24(25,26)27)14-19(18)16-29;1-15(2)21(7-5-19(12-21)30-10-8-22(24,25)14-30)20(31)29-9-6-16-3-4-18(23(26,27)28)11-17(16)13-29;2*1-15(2)22(8-5-20(12-22)28-10-7-19(24)14-28)21(30)29-9-6-16-3-4-18(23(25,26)27)11-17(16)13-29;1-16(2)22(9-7-20(14-22)27-10-3-4-11-27)21(29)28-12-8-17-5-6-19(23(24,25)26)13-18(17)15-28/h11,13,15,18-19H,3-10,12,14H2,1-2H3,(H,33,36);5-6,12,16,20-21H,3-4,7-11,13-15H2,1-2H3;3-4,11,15,19-20H,5-10,12-14H2,1-2H3;4-5,12,16,20H,3,6-11,13-15H2,1-2H3;3-4,13,16,20H,5-12,14-15H2,1-2H3;6-7,14,17,21H,3-5,8-13,15-16H2,1-2H3;3-4,11,15,19H,5-10,12-14H2,1-2H3;2*3-4,11,15,19-20H,5-10,12-14H2,1-2H3;5-6,13,16,20H,3-4,7-12,14-15H2,1-2H3/t19-,23+;20?,21-,23+;19?,20-,22+;2*20-,22+;21-,23+;19-,21+;19-,20+,22-;19-,20-,22+;20-,22+/m1111111011/s1
InChIKeyMWONQULLAAJDTM-VPAPJCNKSA-N
MW4547.14 g/mol
LogP52.02
Rot. Bonds31

About [(1S,3R)-3-(3,3-difluoropiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-3-(4,4-difluoropiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-3-(3,3-difluoropyrrolidin-1-yl)-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-3-[(3R)-3-fluoropyrrolidin-1-yl]-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-3-[(3S)-3-fluoropyrrolidin-1-yl]-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-3-piperidin-1-yl-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-1-propan-2-yl-3-pyrrolidin-1-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-1-propan-2-yl-3-[3-(trifluoromethyl)piperidin-1-yl]cyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-1-propan-2-yl-3-[3-(trifluoromethyl)pyrrolidin-1-yl]cyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;2,2,2-trifluoro-N-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]acetamide

[(1S,3R)-3-(3,3-difluoropiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-3-(4,4-difluoropiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-3-(3,3-difluoropyrrolidin-1-yl)-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-3-[(3R)-3-fluoropyrrolidin-1-yl]-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-3-[(3S)-3-fluoropyrrolidin-1-yl]-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-3-piperidin-1-yl-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-1-propan-2-yl-3-pyrrolidin-1-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-1-propan-2-yl-3-[3-(trifluoromethyl)piperidin-1-yl]cyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-1-propan-2-yl-3-[3-(trifluoromethyl)pyrrolidin-1-yl]cyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;2,2,2-trifluoro-N-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]acetamide (PubChem CID 159692331) has the molecular formula C238H309F47N22O11 and a molecular weight of 4547.14 g/mol. Its IUPAC name is [(1S,3R)-3-(3,3-difluoropiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-3-(4,4-difluoropiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-3-(3,3-difluoropyrrolidin-1-yl)-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-3-[(3R)-3-fluoropyrrolidin-1-yl]-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-3-[(3S)-3-fluoropyrrolidin-1-yl]-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-3-piperidin-1-yl-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-1-propan-2-yl-3-pyrrolidin-1-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-1-propan-2-yl-3-[3-(trifluoromethyl)piperidin-1-yl]cyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-1-propan-2-yl-3-[3-(trifluoromethyl)pyrrolidin-1-yl]cyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;2,2,2-trifluoro-N-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name[(1S,3R)-3-(3,3-difluoropiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-3-(4,4-difluoropiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-3-(3,3-difluoropyrrolidin-1-yl)-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-3-[(3R)-3-fluoropyrrolidin-1-yl]-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-3-[(3S)-3-fluoropyrrolidin-1-yl]-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-3-piperidin-1-yl-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-1-propan-2-yl-3-pyrrolidin-1-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-1-propan-2-yl-3-[3-(trifluoromethyl)piperidin-1-yl]cyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-1-propan-2-yl-3-[3-(trifluoromethyl)pyrrolidin-1-yl]cyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;2,2,2-trifluoro-N-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]acetamide
PubChem CID159692331
Molecular FormulaC238H309F47N22O11
Molecular Weight4547.14 g/mol
Exact Mass4544.35
IUPAC Name[(1S,3R)-3-(3,3-difluoropiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-3-(4,4-difluoropiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-3-(3,3-difluoropyrrolidin-1-yl)-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-3-[(3R)-3-fluoropyrrolidin-1-yl]-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-3-[(3S)-3-fluoropyrrolidin-1-yl]-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-3-piperidin-1-yl-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-1-propan-2-yl-3-pyrrolidin-1-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-1-propan-2-yl-3-[3-(trifluoromethyl)piperidin-1-yl]cyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-1-propan-2-yl-3-[3-(trifluoromethyl)pyrrolidin-1-yl]cyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;2,2,2-trifluoro-N-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]acetamide
SMILESCC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](N2CCC(C(F)(F)F)C2)C1.CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](N2CCC(F)(F)C2)C1.CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](N2CCC(F)(F)CC2)C1.CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](N2CCCC(C(F)(F)F)C2)C1.CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](N2CCCC(F)(F)C2)C1.CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](N2CCCC2)C1.CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](N2CCCCC2)C1.CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](N2CC[C@@H](F)C2)C1.CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](N2CC[C@H](F)C2)C1.CC(C)[C@]1(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)CC[C@@H](N2CCC(NC(=O)C(F)(F)F)CC2)C1
InChIInChI=1S/C25H32F6N4O2.C25H32F6N2O.C24H30F6N2O.2C24H31F5N2O.C24H33F3N2O.C23H29F5N2O.2C23H30F4N2O.C23H31F3N2O/c1-15(2)23(22(37)35-10-6-20-16(14-35)11-17(13-32-20)24(26,27)28)7-3-19(12-23)34-8-4-18(5-9-34)33-21(36)25(29,30)31;1-16(2)23(9-7-21(13-23)32-10-3-4-20(15-32)25(29,30)31)22(34)33-11-8-17-5-6-19(24(26,27)28)12-18(17)14-33;1-15(2)22(8-5-20(12-22)31-10-7-19(14-31)24(28,29)30)21(33)32-9-6-16-3-4-18(23(25,26)27)11-17(16)13-32;1-16(2)22(9-6-20(13-22)31-10-3-8-23(25,26)15-31)21(32)30-11-7-17-4-5-19(24(27,28)29)12-18(17)14-30;1-16(2)22(7-5-20(14-22)30-11-8-23(25,26)9-12-30)21(32)31-10-6-17-3-4-19(24(27,28)29)13-18(17)15-31;1-17(2)23(10-8-21(15-23)28-11-4-3-5-12-28)22(30)29-13-9-18-6-7-20(24(25,26)27)14-19(18)16-29;1-15(2)21(7-5-19(12-21)30-10-8-22(24,25)14-30)20(31)29-9-6-16-3-4-18(23(26,27)28)11-17(16)13-29;2*1-15(2)22(8-5-20(12-22)28-10-7-19(24)14-28)21(30)29-9-6-16-3-4-18(23(25,26)27)11-17(16)13-29;1-16(2)22(9-7-20(14-22)27-10-3-4-11-27)21(29)28-12-8-17-5-6-19(23(24,25)26)13-18(17)15-28/h11,13,15,18-19H,3-10,12,14H2,1-2H3,(H,33,36);5-6,12,16,20-21H,3-4,7-11,13-15H2,1-2H3;3-4,11,15,19-20H,5-10,12-14H2,1-2H3;4-5,12,16,20H,3,6-11,13-15H2,1-2H3;3-4,13,16,20H,5-12,14-15H2,1-2H3;6-7,14,17,21H,3-5,8-13,15-16H2,1-2H3;3-4,11,15,19H,5-10,12-14H2,1-2H3;2*3-4,11,15,19-20H,5-10,12-14H2,1-2H3;5-6,13,16,20H,3-4,7-12,14-15H2,1-2H3/t19-,23+;20?,21-,23+;19?,20-,22+;2*20-,22+;21-,23+;19-,21+;19-,20+,22-;19-,20-,22+;20-,22+/m1111111011/s1
InChIKeyMWONQULLAAJDTM-VPAPJCNKSA-N
XLogP52.02
TPSA277.49 Ų
H-Bond Donors1
H-Bond Acceptors22
Rotatable Bonds31
Heavy Atoms318
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004547.14
LogP ≤ 552.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1022

Analyze [(1S,3R)-3-(3,3-difluoropiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-3-(4,4-difluoropiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-3-(3,3-difluoropyrrolidin-1-yl)-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-3-[(3R)-3-fluoropyrrolidin-1-yl]-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-3-[(3S)-3-fluoropyrrolidin-1-yl]-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-3-piperidin-1-yl-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-1-propan-2-yl-3-pyrrolidin-1-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-1-propan-2-yl-3-[3-(trifluoromethyl)piperidin-1-yl]cyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-1-propan-2-yl-3-[3-(trifluoromethyl)pyrrolidin-1-yl]cyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;2,2,2-trifluoro-N-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]acetamide with MolForge

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What is the IUPAC name of [(1S,3R)-3-(3,3-difluoropiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-3-(4,4-difluoropiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-3-(3,3-difluoropyrrolidin-1-yl)-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-3-[(3R)-3-fluoropyrrolidin-1-yl]-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-3-[(3S)-3-fluoropyrrolidin-1-yl]-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-3-piperidin-1-yl-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-1-propan-2-yl-3-pyrrolidin-1-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-1-propan-2-yl-3-[3-(trifluoromethyl)piperidin-1-yl]cyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-1-propan-2-yl-3-[3-(trifluoromethyl)pyrrolidin-1-yl]cyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;2,2,2-trifluoro-N-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]acetamide?
The IUPAC name of [(1S,3R)-3-(3,3-difluoropiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-3-(4,4-difluoropiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-3-(3,3-difluoropyrrolidin-1-yl)-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-3-[(3R)-3-fluoropyrrolidin-1-yl]-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-3-[(3S)-3-fluoropyrrolidin-1-yl]-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-3-piperidin-1-yl-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-1-propan-2-yl-3-pyrrolidin-1-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-1-propan-2-yl-3-[3-(trifluoromethyl)piperidin-1-yl]cyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-1-propan-2-yl-3-[3-(trifluoromethyl)pyrrolidin-1-yl]cyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;2,2,2-trifluoro-N-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]acetamide (CID 159692331) is [(1S,3R)-3-(3,3-difluoropiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-3-(4,4-difluoropiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-3-(3,3-difluoropyrrolidin-1-yl)-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-3-[(3R)-3-fluoropyrrolidin-1-yl]-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-3-[(3S)-3-fluoropyrrolidin-1-yl]-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-3-piperidin-1-yl-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-1-propan-2-yl-3-pyrrolidin-1-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-1-propan-2-yl-3-[3-(trifluoromethyl)piperidin-1-yl]cyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-1-propan-2-yl-3-[3-(trifluoromethyl)pyrrolidin-1-yl]cyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;2,2,2-trifluoro-N-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]acetamide.
What is the SMILES notation for [(1S,3R)-3-(3,3-difluoropiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-3-(4,4-difluoropiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-3-(3,3-difluoropyrrolidin-1-yl)-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-3-[(3R)-3-fluoropyrrolidin-1-yl]-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-3-[(3S)-3-fluoropyrrolidin-1-yl]-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-3-piperidin-1-yl-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-1-propan-2-yl-3-pyrrolidin-1-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-1-propan-2-yl-3-[3-(trifluoromethyl)piperidin-1-yl]cyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-1-propan-2-yl-3-[3-(trifluoromethyl)pyrrolidin-1-yl]cyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;2,2,2-trifluoro-N-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]acetamide?
The canonical SMILES for [(1S,3R)-3-(3,3-difluoropiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-3-(4,4-difluoropiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-3-(3,3-difluoropyrrolidin-1-yl)-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-3-[(3R)-3-fluoropyrrolidin-1-yl]-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-3-[(3S)-3-fluoropyrrolidin-1-yl]-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-3-piperidin-1-yl-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-1-propan-2-yl-3-pyrrolidin-1-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-1-propan-2-yl-3-[3-(trifluoromethyl)piperidin-1-yl]cyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-1-propan-2-yl-3-[3-(trifluoromethyl)pyrrolidin-1-yl]cyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;2,2,2-trifluoro-N-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]acetamide is CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](N2CCC(C(F)(F)F)C2)C1.CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](N2CCC(F)(F)C2)C1.CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](N2CCC(F)(F)CC2)C1.CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](N2CCCC(C(F)(F)F)C2)C1.CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](N2CCCC(F)(F)C2)C1.CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](N2CCCC2)C1.CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](N2CCCCC2)C1.CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](N2CC[C@@H](F)C2)C1.CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](N2CC[C@H](F)C2)C1.CC(C)[C@]1(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)CC[C@@H](N2CCC(NC(=O)C(F)(F)F)CC2)C1.
What is the InChIKey of [(1S,3R)-3-(3,3-difluoropiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-3-(4,4-difluoropiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-3-(3,3-difluoropyrrolidin-1-yl)-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-3-[(3R)-3-fluoropyrrolidin-1-yl]-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-3-[(3S)-3-fluoropyrrolidin-1-yl]-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-3-piperidin-1-yl-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-1-propan-2-yl-3-pyrrolidin-1-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-1-propan-2-yl-3-[3-(trifluoromethyl)piperidin-1-yl]cyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-1-propan-2-yl-3-[3-(trifluoromethyl)pyrrolidin-1-yl]cyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;2,2,2-trifluoro-N-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]acetamide?
The InChIKey is MWONQULLAAJDTM-VPAPJCNKSA-N. The full InChI is InChI=1S/C25H32F6N4O2.C25H32F6N2O.C24H30F6N2O.2C24H31F5N2O.C24H33F3N2O.C23H29F5N2O.2C23H30F4N2O.C23H31F3N2O/c1-15(2)23(22(37)35-10-6-20-16(14-35)11-17(13-32-20)24(26,27)28)7-3-19(12-23)34-8-4-18(5-9-34)33-21(36)25(29,30)31;1-16(2)23(9-7-21(13-23)32-10-3-4-20(15-32)25(29,30)31)22(34)33-11-8-17-5-6-19(24(26,27)28)12-18(17)14-33;1-15(2)22(8-5-20(12-22)31-10-7-19(14-31)24(28,29)30)21(33)32-9-6-16-3-4-18(23(25,26)27)11-17(16)13-32;1-16(2)22(9-6-20(13-22)31-10-3-8-23(25,26)15-31)21(32)30-11-7-17-4-5-19(24(27,28)29)12-18(17)14-30;1-16(2)22(7-5-20(14-22)30-11-8-23(25,26)9-12-30)21(32)31-10-6-17-3-4-19(24(27,28)29)13-18(17)15-31;1-17(2)23(10-8-21(15-23)28-11-4-3-5-12-28)22(30)29-13-9-18-6-7-20(24(25,26)27)14-19(18)16-29;1-15(2)21(7-5-19(12-21)30-10-8-22(24,25)14-30)20(31)29-9-6-16-3-4-18(23(26,27)28)11-17(16)13-29;2*1-15(2)22(8-5-20(12-22)28-10-7-19(24)14-28)21(30)29-9-6-16-3-4-18(23(25,26)27)11-17(16)13-29;1-16(2)22(9-7-20(14-22)27-10-3-4-11-27)21(29)28-12-8-17-5-6-19(23(24,25)26)13-18(17)15-28/h11,13,15,18-19H,3-10,12,14H2,1-2H3,(H,33,36);5-6,12,16,20-21H,3-4,7-11,13-15H2,1-2H3;3-4,11,15,19-20H,5-10,12-14H2,1-2H3;4-5,12,16,20H,3,6-11,13-15H2,1-2H3;3-4,13,16,20H,5-12,14-15H2,1-2H3;6-7,14,17,21H,3-5,8-13,15-16H2,1-2H3;3-4,11,15,19H,5-10,12-14H2,1-2H3;2*3-4,11,15,19-20H,5-10,12-14H2,1-2H3;5-6,13,16,20H,3-4,7-12,14-15H2,1-2H3/t19-,23+;20?,21-,23+;19?,20-,22+;2*20-,22+;21-,23+;19-,21+;19-,20+,22-;19-,20-,22+;20-,22+/m1111111011/s1.
What are the key properties of [(1S,3R)-3-(3,3-difluoropiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-3-(4,4-difluoropiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-3-(3,3-difluoropyrrolidin-1-yl)-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-3-[(3R)-3-fluoropyrrolidin-1-yl]-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-3-[(3S)-3-fluoropyrrolidin-1-yl]-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-3-piperidin-1-yl-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-1-propan-2-yl-3-pyrrolidin-1-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-1-propan-2-yl-3-[3-(trifluoromethyl)piperidin-1-yl]cyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-1-propan-2-yl-3-[3-(trifluoromethyl)pyrrolidin-1-yl]cyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;2,2,2-trifluoro-N-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]acetamide?
[(1S,3R)-3-(3,3-difluoropiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-3-(4,4-difluoropiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-3-(3,3-difluoropyrrolidin-1-yl)-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-3-[(3R)-3-fluoropyrrolidin-1-yl]-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-3-[(3S)-3-fluoropyrrolidin-1-yl]-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-3-piperidin-1-yl-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-1-propan-2-yl-3-pyrrolidin-1-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-1-propan-2-yl-3-[3-(trifluoromethyl)piperidin-1-yl]cyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-1-propan-2-yl-3-[3-(trifluoromethyl)pyrrolidin-1-yl]cyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;2,2,2-trifluoro-N-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]acetamide has a molecular weight of 4547.14 g/mol, XLogP of 52.02, 31 rotatable bonds, 1 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R)-3-(3,3-difluoropiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-3-(4,4-difluoropiperidin-1-yl)-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-3-(3,3-difluoropyrrolidin-1-yl)-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-3-[(3R)-3-fluoropyrrolidin-1-yl]-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-3-[(3S)-3-fluoropyrrolidin-1-yl]-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-3-piperidin-1-yl-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-1-propan-2-yl-3-pyrrolidin-1-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-1-propan-2-yl-3-[3-(trifluoromethyl)piperidin-1-yl]cyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-1-propan-2-yl-3-[3-(trifluoromethyl)pyrrolidin-1-yl]cyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;2,2,2-trifluoro-N-[1-[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 159692331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).