3-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;[(1S,3R)-3-[[4-hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexyl]amino]-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-3-[[4-hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexyl]amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;methyl 1-[3-(3-acetamidophenyl)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carboxylate;methyl 1-[3-(3-aminophenyl)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carboxylate;methyl 1-[3-[3-(carbamoylamino)phenyl]-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carboxylate

C179H217F19N22O20 — CID 157207160

About 3-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;[(1S,3R)-3-[[4-hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexyl]amino]-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-3-[[4-hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexyl]amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;methyl 1-[3-(3-acetamidophenyl)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carboxylate;methyl 1-[3-(3-aminophenyl)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carboxylate;methyl 1-[3-[3-(carbamoylamino)phenyl]-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carboxylate

3-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;[(1S,3R)-3-[[4-hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexyl]amino]-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-3-[[4-hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexyl]amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;methyl 1-[3-(3-acetamidophenyl)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carboxylate;methyl 1-[3-(3-aminophenyl)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carboxylate;methyl 1-[3-[3-(carbamoylamino)phenyl]-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carboxylate (PubChem CID 157207160) has the molecular formula C179H217F19N22O20 and a molecular weight of 3357.80 g/mol. Its IUPAC name is 3-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;[(1S,3R)-3-[[4-hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexyl]amino]-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-3-[[4-hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexyl]amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;methyl 1-[3-(3-acetamidophenyl)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carboxylate;methyl 1-[3-(3-aminophenyl)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carboxylate;methyl 1-[3-[3-(carbamoylamino)phenyl]-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carboxylate.

Molecular Properties

• Compound Name: 3-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;[(1S,3R)-3-[[4-hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexyl]amino]-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-3-[[4-hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexyl]amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;methyl 1-[3-(3-acetamidophenyl)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carboxylate;methyl 1-[3-(3-aminophenyl)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carboxylate;methyl 1-[3-[3-(carbamoylamino)phenyl]-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carboxylate
• PubChem CID: 157207160
• Molecular Formula: C179H217F19N22O20
• Molecular Weight: 3357.80 g/mol
• Exact Mass: 3355.63
• IUPAC Name: 3-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;[(1S,3R)-3-[[4-hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexyl]amino]-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-3-[[4-hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexyl]amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;methyl 1-[3-(3-acetamidophenyl)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carboxylate;methyl 1-[3-(3-aminophenyl)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carboxylate;methyl 1-[3-[3-(carbamoylamino)phenyl]-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carboxylate
• SMILES: CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](N2CCC(c3cc(F)cc(C(=O)O)c3)CC2)C1.COC(=O)C1CCN(C2CCC(C(=O)N3CCc4ncc(C(F)(F)F)cc4C3)(c3cccc(N)c3)C2)CC1.COC(=O)C1CCN(C2CCC(C(=O)N3CCc4ncc(C(F)(F)F)cc4C3)(c3cccc(NC(C)=O)c3)C2)CC1.COC(=O)C1CCN(C2CCC(C(=O)N3CCc4ncc(C(F)(F)F)cc4C3)(c3cccc(NC(N)=O)c3)C2)CC1.COc1ccc(C2(O)CCC(N[C@@H]3CC[C@@](C(=O)N4CCc5ccc(C(F)(F)F)cc5C4)(C(C)C)C3)CC2)cn1.COc1ccc(C2(O)CCC(N[C@@H]3CC[C@@](C(=O)N4CCc5ncc(C(F)(F)F)cc5C4)(C(C)C)C3)CC2)cn1
• InChI: InChI=1S/C31H36F4N2O3.C31H40F3N3O3.C30H35F3N4O4.C30H39F3N4O3.C29H34F3N5O4.C28H33F3N4O3/c1-19(2)30(29(40)37-12-8-20-3-4-25(31(33,34)35)14-24(20)18-37)9-5-27(17-30)36-10-6-21(7-11-36)22-13-23(28(38)39)16-26(32)15-22;1-20(2)29(28(38)37-15-11-21-4-5-23(31(32,33)34)16-22(21)19-37)12-8-26(17-29)36-25-9-13-30(39,14-10-25)24-6-7-27(40-3)35-18-24;1-19(38)35-24-5-3-4-22(15-24)29(10-6-25(16-29)36-11-7-20(8-12-36)27(39)41-2)28(40)37-13-9-26-21(18-37)14-23(17-34-26)30(31,32)33;1-19(2)28(27(38)37-13-9-25-20(18-37)14-22(17-34-25)30(31,32)33)10-6-24(15-28)36-23-7-11-29(39,12-8-23)21-4-5-26(40-3)35-16-21;1-41-25(38)18-6-10-36(11-7-18)23-5-9-28(15-23,20-3-2-4-22(14-20)35-27(33)40)26(39)37-12-8-24-19(17-37)13-21(16-34-24)29(30,31)32;1-38-25(36)18-6-10-34(11-7-18)23-5-9-27(15-23,20-3-2-4-22(32)14-20)26(37)35-12-8-24-19(17-35)13-21(16-33-24)28(29,30)31/h3-4,13-16,19,21,27H,5-12,17-18H2,1-2H3,(H,38,39);4-7,16,18,20,25-26,36,39H,8-15,17,19H2,1-3H3;3-5,14-15,17,20,25H,6-13,16,18H2,1-2H3,(H,35,38);4-5,14,16-17,19,23-24,36,39H,6-13,15,18H2,1-3H3;2-4,13-14,16,18,23H,5-12,15,17H2,1H3,(H3,33,35,40);2-4,13-14,16,18,23H,5-12,15,17,32H2,1H3/t27-,30+;25?,26-,29+,30?;;23?,24-,28+,29?;;/m11.1../s1
• InChIKey: ARMHZAGCAJACAR-NJCWEPQCSA-N
• XLogP: 29.23
• TPSA: 521.58 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 32
• Rotatable Bonds: 31
• Heavy Atoms: 240
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3357.80
LogP ≤ 5	29.23
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-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;[(1S,3R)-3-[[4-hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexyl]amino]-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-3-[[4-hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexyl]amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;methyl 1-[3-(3-acetamidophenyl)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carboxylate;methyl 1-[3-(3-aminophenyl)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carboxylate;methyl 1-[3-[3-(carbamoylamino)phenyl]-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carboxylate?

The IUPAC name of 3-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;[(1S,3R)-3-[[4-hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexyl]amino]-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-3-[[4-hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexyl]amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;methyl 1-[3-(3-acetamidophenyl)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carboxylate;methyl 1-[3-(3-aminophenyl)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carboxylate;methyl 1-[3-[3-(carbamoylamino)phenyl]-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carboxylate (CID 157207160) is 3-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;[(1S,3R)-3-[[4-hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexyl]amino]-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-3-[[4-hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexyl]amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;methyl 1-[3-(3-acetamidophenyl)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carboxylate;methyl 1-[3-(3-aminophenyl)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carboxylate;methyl 1-[3-[3-(carbamoylamino)phenyl]-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carboxylate.

What is the SMILES notation for 3-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;[(1S,3R)-3-[[4-hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexyl]amino]-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-3-[[4-hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexyl]amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;methyl 1-[3-(3-acetamidophenyl)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carboxylate;methyl 1-[3-(3-aminophenyl)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carboxylate;methyl 1-[3-[3-(carbamoylamino)phenyl]-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carboxylate?

The canonical SMILES for 3-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;[(1S,3R)-3-[[4-hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexyl]amino]-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-3-[[4-hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexyl]amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;methyl 1-[3-(3-acetamidophenyl)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carboxylate;methyl 1-[3-(3-aminophenyl)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carboxylate;methyl 1-[3-[3-(carbamoylamino)phenyl]-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carboxylate is CC(C)[C@]1(C(=O)N2CCc3ccc(C(F)(F)F)cc3C2)CC[C@@H](N2CCC(c3cc(F)cc(C(=O)O)c3)CC2)C1.COC(=O)C1CCN(C2CCC(C(=O)N3CCc4ncc(C(F)(F)F)cc4C3)(c3cccc(N)c3)C2)CC1.COC(=O)C1CCN(C2CCC(C(=O)N3CCc4ncc(C(F)(F)F)cc4C3)(c3cccc(NC(C)=O)c3)C2)CC1.COC(=O)C1CCN(C2CCC(C(=O)N3CCc4ncc(C(F)(F)F)cc4C3)(c3cccc(NC(N)=O)c3)C2)CC1.COc1ccc(C2(O)CCC(N[C@@H]3CC[C@@](C(=O)N4CCc5ccc(C(F)(F)F)cc5C4)(C(C)C)C3)CC2)cn1.COc1ccc(C2(O)CCC(N[C@@H]3CC[C@@](C(=O)N4CCc5ncc(C(F)(F)F)cc5C4)(C(C)C)C3)CC2)cn1.

What is the InChIKey of 3-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;[(1S,3R)-3-[[4-hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexyl]amino]-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-3-[[4-hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexyl]amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;methyl 1-[3-(3-acetamidophenyl)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carboxylate;methyl 1-[3-(3-aminophenyl)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carboxylate;methyl 1-[3-[3-(carbamoylamino)phenyl]-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carboxylate?

The InChIKey is ARMHZAGCAJACAR-NJCWEPQCSA-N. The full InChI is InChI=1S/C31H36F4N2O3.C31H40F3N3O3.C30H35F3N4O4.C30H39F3N4O3.C29H34F3N5O4.C28H33F3N4O3/c1-19(2)30(29(40)37-12-8-20-3-4-25(31(33,34)35)14-24(20)18-37)9-5-27(17-30)36-10-6-21(7-11-36)22-13-23(28(38)39)16-26(32)15-22;1-20(2)29(28(38)37-15-11-21-4-5-23(31(32,33)34)16-22(21)19-37)12-8-26(17-29)36-25-9-13-30(39,14-10-25)24-6-7-27(40-3)35-18-24;1-19(38)35-24-5-3-4-22(15-24)29(10-6-25(16-29)36-11-7-20(8-12-36)27(39)41-2)28(40)37-13-9-26-21(18-37)14-23(17-34-26)30(31,32)33;1-19(2)28(27(38)37-13-9-25-20(18-37)14-22(17-34-25)30(31,32)33)10-6-24(15-28)36-23-7-11-29(39,12-8-23)21-4-5-26(40-3)35-16-21;1-41-25(38)18-6-10-36(11-7-18)23-5-9-28(15-23,20-3-2-4-22(14-20)35-27(33)40)26(39)37-12-8-24-19(17-37)13-21(16-34-24)29(30,31)32;1-38-25(36)18-6-10-34(11-7-18)23-5-9-27(15-23,20-3-2-4-22(32)14-20)26(37)35-12-8-24-19(17-35)13-21(16-33-24)28(29,30)31/h3-4,13-16,19,21,27H,5-12,17-18H2,1-2H3,(H,38,39);4-7,16,18,20,25-26,36,39H,8-15,17,19H2,1-3H3;3-5,14-15,17,20,25H,6-13,16,18H2,1-2H3,(H,35,38);4-5,14,16-17,19,23-24,36,39H,6-13,15,18H2,1-3H3;2-4,13-14,16,18,23H,5-12,15,17H2,1H3,(H3,33,35,40);2-4,13-14,16,18,23H,5-12,15,17,32H2,1H3/t27-,30+;25?,26-,29+,30?;;23?,24-,28+,29?;;/m11.1../s1.

What are the key properties of 3-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;[(1S,3R)-3-[[4-hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexyl]amino]-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-3-[[4-hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexyl]amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;methyl 1-[3-(3-acetamidophenyl)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carboxylate;methyl 1-[3-(3-aminophenyl)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carboxylate;methyl 1-[3-[3-(carbamoylamino)phenyl]-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carboxylate?

3-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;[(1S,3R)-3-[[4-hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexyl]amino]-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-3-[[4-hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexyl]amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;methyl 1-[3-(3-acetamidophenyl)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carboxylate;methyl 1-[3-(3-aminophenyl)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carboxylate;methyl 1-[3-[3-(carbamoylamino)phenyl]-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carboxylate has a molecular weight of 3357.80 g/mol, XLogP of 29.23, 31 rotatable bonds, 9 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 3-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;[(1S,3R)-3-[[4-hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexyl]amino]-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;[(1S,3R)-3-[[4-hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexyl]amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;methyl 1-[3-(3-acetamidophenyl)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carboxylate;methyl 1-[3-(3-aminophenyl)-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carboxylate;methyl 1-[3-[3-(carbamoylamino)phenyl]-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]piperidine-4-carboxylate is sourced from PubChem (CID 157207160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).