(7-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-[(1S,3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]methanone;(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[(1S,3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]methanone;[(1S,3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]-(7-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;[(1S,3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]-(7-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;[(1S,3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]-(7-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;[(1S,3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]-(7-pyridin-4-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;[(1S,3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]-[7-(1,2,4-triazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]-[7-[5-(trifluoromethyl)tetrazol-1-yl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[5-fluoro-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-[3-(4-imidazol-1-ylpiperidin-1-yl)-1-propan-2-ylcyclopentyl]methanone;[5-fluoro-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-[3-[4-(1-methyltetrazol-5-yl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]methanone

C314H384BrF19N36O12 — CID 158416956

About (7-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-[(1S,3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]methanone;(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[(1S,3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]methanone;[(1S,3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]-(7-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;[(1S,3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]-(7-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;[(1S,3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]-(7-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;[(1S,3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]-(7-pyridin-4-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;[(1S,3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]-[7-(1,2,4-triazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]-[7-[5-(trifluoromethyl)tetrazol-1-yl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[5-fluoro-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-[3-(4-imidazol-1-ylpiperidin-1-yl)-1-propan-2-ylcyclopentyl]methanone;[5-fluoro-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-[3-[4-(1-methyltetrazol-5-yl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]methanone

(7-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-[(1S,3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]methanone;(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[(1S,3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]methanone;[(1S,3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]-(7-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;[(1S,3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]-(7-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;[(1S,3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]-(7-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;[(1S,3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]-(7-pyridin-4-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;[(1S,3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]-[7-(1,2,4-triazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]-[7-[5-(trifluoromethyl)tetrazol-1-yl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[5-fluoro-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-[3-(4-imidazol-1-ylpiperidin-1-yl)-1-propan-2-ylcyclopentyl]methanone;[5-fluoro-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-[3-[4-(1-methyltetrazol-5-yl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]methanone (PubChem CID 158416956) has the molecular formula C314H384BrF19N36O12 and a molecular weight of 5295.63 g/mol. Its IUPAC name is (7-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-[(1S,3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]methanone;(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[(1S,3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]methanone;[(1S,3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]-(7-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;[(1S,3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]-(7-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;[(1S,3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]-(7-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;[(1S,3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]-(7-pyridin-4-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;[(1S,3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]-[7-(1,2,4-triazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]-[7-[5-(trifluoromethyl)tetrazol-1-yl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[5-fluoro-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-[3-(4-imidazol-1-ylpiperidin-1-yl)-1-propan-2-ylcyclopentyl]methanone;[5-fluoro-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-[3-[4-(1-methyltetrazol-5-yl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]methanone.

Molecular Properties

• Compound Name: (7-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-[(1S,3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]methanone;(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[(1S,3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]methanone;[(1S,3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]-(7-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;[(1S,3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]-(7-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;[(1S,3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]-(7-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;[(1S,3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]-(7-pyridin-4-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;[(1S,3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]-[7-(1,2,4-triazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]-[7-[5-(trifluoromethyl)tetrazol-1-yl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[5-fluoro-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-[3-(4-imidazol-1-ylpiperidin-1-yl)-1-propan-2-ylcyclopentyl]methanone;[5-fluoro-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-[3-[4-(1-methyltetrazol-5-yl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]methanone
• PubChem CID: 158416956
• Molecular Formula: C314H384BrF19N36O12
• Molecular Weight: 5295.63 g/mol
• Exact Mass: 5290.94
• IUPAC Name: (7-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-[(1S,3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]methanone;(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[(1S,3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]methanone;[(1S,3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]-(7-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;[(1S,3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]-(7-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;[(1S,3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]-(7-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;[(1S,3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]-(7-pyridin-4-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;[(1S,3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]-[7-(1,2,4-triazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]-[7-[5-(trifluoromethyl)tetrazol-1-yl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[5-fluoro-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-[3-(4-imidazol-1-ylpiperidin-1-yl)-1-propan-2-ylcyclopentyl]methanone;[5-fluoro-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-[3-[4-(1-methyltetrazol-5-yl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]methanone
• SMILES: CC(C)C1(C(=O)N2CCc3c(F)cc(C(F)(F)F)cc3C2)CCC(N2CCC(c3nnnn3C)CC2)C1.CC(C)C1(C(=O)N2CCc3c(F)cc(C(F)(F)F)cc3C2)CCC(N2CCC(n3ccnc3)CC2)C1.CC(C)[C@]1(C(=O)N2CCc3ccc(-c4ccccc4)cc3C2)CC[C@@H](N2CCC(c3ccc(F)cc3)CC2)C1.CC(C)[C@]1(C(=O)N2CCc3ccc(-c4ccccn4)cc3C2)CC[C@@H](N2CCC(c3ccc(F)cc3)CC2)C1.CC(C)[C@]1(C(=O)N2CCc3ccc(-c4cccnc4)cc3C2)CC[C@@H](N2CCC(c3ccc(F)cc3)CC2)C1.CC(C)[C@]1(C(=O)N2CCc3ccc(-c4ccncc4)cc3C2)CC[C@@H](N2CCC(c3ccc(F)cc3)CC2)C1.CC(C)[C@]1(C(=O)N2CCc3ccc(-n4cnnc4)cc3C2)CC[C@@H](N2CCC(c3ccc(F)cc3)CC2)C1.CC(C)[C@]1(C(=O)N2CCc3ccc(-n4nnnc4C(F)(F)F)cc3C2)CC[C@@H](N2CCC(c3ccc(F)cc3)CC2)C1.CC(C)[C@]1(C(=O)N2CCc3ccc(Br)cc3C2)CC[C@@H](N2CCC(c3ccc(F)cc3)CC2)C1.CCOc1cc2c(cc1OCC)CN(C(=O)[C@@]1(C(C)C)CC[C@@H](N3CCC(c4ccc(F)cc4)CC3)C1)CC2
• InChI: InChI=1S/C35H41FN2O.3C34H40FN3O.C33H45FN2O3.C31H36F4N6O.C31H38FN5O.C29H36BrFN2O.C27H34F4N4O.C26H34F4N6O/c1-25(2)35(18-14-33(23-35)37-19-15-29(16-20-37)27-10-12-32(36)13-11-27)34(39)38-21-17-28-8-9-30(22-31(28)24-38)26-6-4-3-5-7-26;1-24(2)34(15-9-32(22-34)37-18-12-28(13-19-37)25-5-7-31(35)8-6-25)33(39)38-20-14-26-3-4-29(21-30(26)23-38)27-10-16-36-17-11-27;1-24(2)34(15-11-32(21-34)37-17-12-27(13-18-37)25-7-9-31(35)10-8-25)33(39)38-19-14-26-5-6-28(20-30(26)23-38)29-4-3-16-36-22-29;1-24(2)34(16-12-31(22-34)37-18-13-27(14-19-37)25-8-10-30(35)11-9-25)33(39)38-20-15-26-6-7-28(21-29(26)23-38)32-5-3-4-17-36-32;1-5-38-30-19-26-14-18-36(22-27(26)20-31(30)39-6-2)32(37)33(23(3)4)15-11-29(21-33)35-16-12-25(13-17-35)24-7-9-28(34)10-8-24;1-20(2)30(13-9-27(18-30)39-14-10-23(11-15-39)21-3-6-25(32)7-4-21)29(42)40-16-12-22-5-8-26(17-24(22)19-40)41-28(31(33,34)35)36-37-38-41;1-22(2)31(13-9-29(18-31)35-14-10-25(11-15-35)23-3-6-27(32)7-4-23)30(38)36-16-12-24-5-8-28(17-26(24)19-36)37-20-33-34-21-37;1-20(2)29(28(34)33-16-12-22-3-6-25(30)17-24(22)19-33)13-9-27(18-29)32-14-10-23(11-15-32)21-4-7-26(31)8-5-21;1-18(2)26(7-3-22(15-26)33-9-4-21(5-10-33)35-12-8-32-17-35)25(36)34-11-6-23-19(16-34)13-20(14-24(23)28)27(29,30)31;1-16(2)25(8-4-20(14-25)35-9-5-17(6-10-35)23-31-32-33-34(23)3)24(37)36-11-7-21-18(15-36)12-19(13-22(21)27)26(28,29)30/h3-13,22,25,29,33H,14-21,23-24H2,1-2H3;3-8,10-11,16-17,21,24,28,32H,9,12-15,18-20,22-23H2,1-2H3;3-10,16,20,22,24,27,32H,11-15,17-19,21,23H2,1-2H3;3-11,17,21,24,27,31H,12-16,18-20,22-23H2,1-2H3;7-10,19-20,23,25,29H,5-6,11-18,21-22H2,1-4H3;3-8,17,20,23,27H,9-16,18-19H2,1-2H3;3-8,17,20-22,25,29H,9-16,18-19H2,1-2H3;3-8,17,20,23,27H,9-16,18-19H2,1-2H3;8,12-14,17-18,21-22H,3-7,9-11,15-16H2,1-2H3;12-13,16-17,20H,4-11,14-15H2,1-3H3/t33-,35+;2*32-,34+;31-,34+;29-,33+;27-,30+;29-,31+;27-,29+;;/m11111111../s1
• InChIKey: HAAAHCOXHQSYRL-YTSRTARMSA-N
• XLogP: 62.05
• TPSA: 428.36 Ų
• H-Bond Acceptors: 38
• Rotatable Bonds: 50
• Heavy Atoms: 382
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	5295.63
LogP ≤ 5	62.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of (7-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-[(1S,3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]methanone;(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[(1S,3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]methanone;[(1S,3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]-(7-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;[(1S,3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]-(7-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;[(1S,3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]-(7-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;[(1S,3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]-(7-pyridin-4-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;[(1S,3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]-[7-(1,2,4-triazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]-[7-[5-(trifluoromethyl)tetrazol-1-yl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[5-fluoro-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-[3-(4-imidazol-1-ylpiperidin-1-yl)-1-propan-2-ylcyclopentyl]methanone;[5-fluoro-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-[3-[4-(1-methyltetrazol-5-yl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]methanone?

The IUPAC name of (7-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-[(1S,3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]methanone;(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[(1S,3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]methanone;[(1S,3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]-(7-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;[(1S,3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]-(7-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;[(1S,3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]-(7-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;[(1S,3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]-(7-pyridin-4-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;[(1S,3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]-[7-(1,2,4-triazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]-[7-[5-(trifluoromethyl)tetrazol-1-yl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[5-fluoro-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-[3-(4-imidazol-1-ylpiperidin-1-yl)-1-propan-2-ylcyclopentyl]methanone;[5-fluoro-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-[3-[4-(1-methyltetrazol-5-yl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]methanone (CID 158416956) is (7-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-[(1S,3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]methanone;(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[(1S,3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]methanone;[(1S,3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]-(7-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;[(1S,3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]-(7-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;[(1S,3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]-(7-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;[(1S,3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]-(7-pyridin-4-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;[(1S,3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]-[7-(1,2,4-triazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]-[7-[5-(trifluoromethyl)tetrazol-1-yl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[5-fluoro-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-[3-(4-imidazol-1-ylpiperidin-1-yl)-1-propan-2-ylcyclopentyl]methanone;[5-fluoro-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-[3-[4-(1-methyltetrazol-5-yl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]methanone.

What is the SMILES notation for (7-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-[(1S,3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]methanone;(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[(1S,3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]methanone;[(1S,3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]-(7-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;[(1S,3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]-(7-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;[(1S,3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]-(7-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;[(1S,3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]-(7-pyridin-4-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;[(1S,3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]-[7-(1,2,4-triazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]-[7-[5-(trifluoromethyl)tetrazol-1-yl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[5-fluoro-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-[3-(4-imidazol-1-ylpiperidin-1-yl)-1-propan-2-ylcyclopentyl]methanone;[5-fluoro-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-[3-[4-(1-methyltetrazol-5-yl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]methanone?

The canonical SMILES for (7-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-[(1S,3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]methanone;(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[(1S,3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]methanone;[(1S,3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]-(7-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;[(1S,3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]-(7-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;[(1S,3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]-(7-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;[(1S,3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]-(7-pyridin-4-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;[(1S,3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]-[7-(1,2,4-triazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]-[7-[5-(trifluoromethyl)tetrazol-1-yl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[5-fluoro-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-[3-(4-imidazol-1-ylpiperidin-1-yl)-1-propan-2-ylcyclopentyl]methanone;[5-fluoro-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-[3-[4-(1-methyltetrazol-5-yl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]methanone is CC(C)C1(C(=O)N2CCc3c(F)cc(C(F)(F)F)cc3C2)CCC(N2CCC(c3nnnn3C)CC2)C1.CC(C)C1(C(=O)N2CCc3c(F)cc(C(F)(F)F)cc3C2)CCC(N2CCC(n3ccnc3)CC2)C1.CC(C)[C@]1(C(=O)N2CCc3ccc(-c4ccccc4)cc3C2)CC[C@@H](N2CCC(c3ccc(F)cc3)CC2)C1.CC(C)[C@]1(C(=O)N2CCc3ccc(-c4ccccn4)cc3C2)CC[C@@H](N2CCC(c3ccc(F)cc3)CC2)C1.CC(C)[C@]1(C(=O)N2CCc3ccc(-c4cccnc4)cc3C2)CC[C@@H](N2CCC(c3ccc(F)cc3)CC2)C1.CC(C)[C@]1(C(=O)N2CCc3ccc(-c4ccncc4)cc3C2)CC[C@@H](N2CCC(c3ccc(F)cc3)CC2)C1.CC(C)[C@]1(C(=O)N2CCc3ccc(-n4cnnc4)cc3C2)CC[C@@H](N2CCC(c3ccc(F)cc3)CC2)C1.CC(C)[C@]1(C(=O)N2CCc3ccc(-n4nnnc4C(F)(F)F)cc3C2)CC[C@@H](N2CCC(c3ccc(F)cc3)CC2)C1.CC(C)[C@]1(C(=O)N2CCc3ccc(Br)cc3C2)CC[C@@H](N2CCC(c3ccc(F)cc3)CC2)C1.CCOc1cc2c(cc1OCC)CN(C(=O)[C@@]1(C(C)C)CC[C@@H](N3CCC(c4ccc(F)cc4)CC3)C1)CC2.

What is the InChIKey of (7-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-[(1S,3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]methanone;(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[(1S,3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]methanone;[(1S,3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]-(7-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;[(1S,3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]-(7-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;[(1S,3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]-(7-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;[(1S,3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]-(7-pyridin-4-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;[(1S,3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]-[7-(1,2,4-triazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]-[7-[5-(trifluoromethyl)tetrazol-1-yl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[5-fluoro-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-[3-(4-imidazol-1-ylpiperidin-1-yl)-1-propan-2-ylcyclopentyl]methanone;[5-fluoro-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-[3-[4-(1-methyltetrazol-5-yl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]methanone?

The InChIKey is HAAAHCOXHQSYRL-YTSRTARMSA-N. The full InChI is InChI=1S/C35H41FN2O.3C34H40FN3O.C33H45FN2O3.C31H36F4N6O.C31H38FN5O.C29H36BrFN2O.C27H34F4N4O.C26H34F4N6O/c1-25(2)35(18-14-33(23-35)37-19-15-29(16-20-37)27-10-12-32(36)13-11-27)34(39)38-21-17-28-8-9-30(22-31(28)24-38)26-6-4-3-5-7-26;1-24(2)34(15-9-32(22-34)37-18-12-28(13-19-37)25-5-7-31(35)8-6-25)33(39)38-20-14-26-3-4-29(21-30(26)23-38)27-10-16-36-17-11-27;1-24(2)34(15-11-32(21-34)37-17-12-27(13-18-37)25-7-9-31(35)10-8-25)33(39)38-19-14-26-5-6-28(20-30(26)23-38)29-4-3-16-36-22-29;1-24(2)34(16-12-31(22-34)37-18-13-27(14-19-37)25-8-10-30(35)11-9-25)33(39)38-20-15-26-6-7-28(21-29(26)23-38)32-5-3-4-17-36-32;1-5-38-30-19-26-14-18-36(22-27(26)20-31(30)39-6-2)32(37)33(23(3)4)15-11-29(21-33)35-16-12-25(13-17-35)24-7-9-28(34)10-8-24;1-20(2)30(13-9-27(18-30)39-14-10-23(11-15-39)21-3-6-25(32)7-4-21)29(42)40-16-12-22-5-8-26(17-24(22)19-40)41-28(31(33,34)35)36-37-38-41;1-22(2)31(13-9-29(18-31)35-14-10-25(11-15-35)23-3-6-27(32)7-4-23)30(38)36-16-12-24-5-8-28(17-26(24)19-36)37-20-33-34-21-37;1-20(2)29(28(34)33-16-12-22-3-6-25(30)17-24(22)19-33)13-9-27(18-29)32-14-10-23(11-15-32)21-4-7-26(31)8-5-21;1-18(2)26(7-3-22(15-26)33-9-4-21(5-10-33)35-12-8-32-17-35)25(36)34-11-6-23-19(16-34)13-20(14-24(23)28)27(29,30)31;1-16(2)25(8-4-20(14-25)35-9-5-17(6-10-35)23-31-32-33-34(23)3)24(37)36-11-7-21-18(15-36)12-19(13-22(21)27)26(28,29)30/h3-13,22,25,29,33H,14-21,23-24H2,1-2H3;3-8,10-11,16-17,21,24,28,32H,9,12-15,18-20,22-23H2,1-2H3;3-10,16,20,22,24,27,32H,11-15,17-19,21,23H2,1-2H3;3-11,17,21,24,27,31H,12-16,18-20,22-23H2,1-2H3;7-10,19-20,23,25,29H,5-6,11-18,21-22H2,1-4H3;3-8,17,20,23,27H,9-16,18-19H2,1-2H3;3-8,17,20-22,25,29H,9-16,18-19H2,1-2H3;3-8,17,20,23,27H,9-16,18-19H2,1-2H3;8,12-14,17-18,21-22H,3-7,9-11,15-16H2,1-2H3;12-13,16-17,20H,4-11,14-15H2,1-3H3/t33-,35+;2*32-,34+;31-,34+;29-,33+;27-,30+;29-,31+;27-,29+;;/m11111111../s1.

What are the key properties of (7-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-[(1S,3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]methanone;(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[(1S,3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]methanone;[(1S,3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]-(7-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;[(1S,3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]-(7-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;[(1S,3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]-(7-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;[(1S,3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]-(7-pyridin-4-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;[(1S,3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]-[7-(1,2,4-triazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]-[7-[5-(trifluoromethyl)tetrazol-1-yl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[5-fluoro-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-[3-(4-imidazol-1-ylpiperidin-1-yl)-1-propan-2-ylcyclopentyl]methanone;[5-fluoro-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-[3-[4-(1-methyltetrazol-5-yl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]methanone?

(7-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-[(1S,3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]methanone;(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[(1S,3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]methanone;[(1S,3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]-(7-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;[(1S,3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]-(7-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;[(1S,3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]-(7-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;[(1S,3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]-(7-pyridin-4-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;[(1S,3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]-[7-(1,2,4-triazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]-[7-[5-(trifluoromethyl)tetrazol-1-yl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[5-fluoro-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-[3-(4-imidazol-1-ylpiperidin-1-yl)-1-propan-2-ylcyclopentyl]methanone;[5-fluoro-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-[3-[4-(1-methyltetrazol-5-yl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]methanone has a molecular weight of 5295.63 g/mol, XLogP of 62.05, 50 rotatable bonds, 0 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for (7-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-[(1S,3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]methanone;(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[(1S,3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]methanone;[(1S,3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]-(7-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;[(1S,3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]-(7-pyridin-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;[(1S,3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]-(7-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;[(1S,3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]-(7-pyridin-4-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone;[(1S,3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]-[7-(1,2,4-triazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-3-[4-(4-fluorophenyl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]-[7-[5-(trifluoromethyl)tetrazol-1-yl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[5-fluoro-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-[3-(4-imidazol-1-ylpiperidin-1-yl)-1-propan-2-ylcyclopentyl]methanone;[5-fluoro-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-[3-[4-(1-methyltetrazol-5-yl)piperidin-1-yl]-1-propan-2-ylcyclopentyl]methanone is sourced from PubChem (CID 158416956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).