1-(1-deuterio-1-pyridin-3-yl-3,4-dihydroisoquinolin-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[1-deuterio-1-(1,3-thiazol-5-yl)-3,4-dihydroisoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(1R)-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-(1-pyridin-3-yl-1,2,3,4-tetrahydronaphthalen-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[1-(1,3-thiazol-5-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol

C117H112F15N9O10S2 — CID 167669487

About 1-(1-deuterio-1-pyridin-3-yl-3,4-dihydroisoquinolin-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[1-deuterio-1-(1,3-thiazol-5-yl)-3,4-dihydroisoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(1R)-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-(1-pyridin-3-yl-1,2,3,4-tetrahydronaphthalen-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[1-(1,3-thiazol-5-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol

1-(1-deuterio-1-pyridin-3-yl-3,4-dihydroisoquinolin-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[1-deuterio-1-(1,3-thiazol-5-yl)-3,4-dihydroisoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(1R)-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-(1-pyridin-3-yl-1,2,3,4-tetrahydronaphthalen-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[1-(1,3-thiazol-5-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol (PubChem CID 167669487) has the molecular formula C117H112F15N9O10S2 and a molecular weight of 2155.35 g/mol. Its IUPAC name is 1-(1-deuterio-1-pyridin-3-yl-3,4-dihydroisoquinolin-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[1-deuterio-1-(1,3-thiazol-5-yl)-3,4-dihydroisoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(1R)-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-(1-pyridin-3-yl-1,2,3,4-tetrahydronaphthalen-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[1-(1,3-thiazol-5-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol.

Molecular Properties

• Compound Name: 1-(1-deuterio-1-pyridin-3-yl-3,4-dihydroisoquinolin-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[1-deuterio-1-(1,3-thiazol-5-yl)-3,4-dihydroisoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(1R)-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-(1-pyridin-3-yl-1,2,3,4-tetrahydronaphthalen-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[1-(1,3-thiazol-5-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
• PubChem CID: 167669487
• Molecular Formula: C117H112F15N9O10S2
• Molecular Weight: 2155.35 g/mol
• Exact Mass: 2153.79
• IUPAC Name: 1-(1-deuterio-1-pyridin-3-yl-3,4-dihydroisoquinolin-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[1-deuterio-1-(1,3-thiazol-5-yl)-3,4-dihydroisoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(1R)-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-(1-pyridin-3-yl-1,2,3,4-tetrahydronaphthalen-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[1-(1,3-thiazol-5-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
• SMILES: OC(COc1ccc(C(F)(F)F)cc1)CC1CCc2ccccc2C1c1cccnc1.OC(COc1ccc(C(F)(F)F)cc1)CN1CCc2ccccc2C1c1cncs1.OC(COc1ccc(C(F)(F)F)cc1)CN1CCc2ccccc2[C@@H]1c1cccnc1.[2H]C1(c2cccnc2)c2ccccc2CCN1CC(O)COc1ccc(C(F)(F)F)cc1.[2H]C1(c2cncs2)c2ccccc2CCN1CC(O)COc1ccc(C(F)(F)F)cc1
• InChI: InChI=1S/C25H24F3NO2.2C24H23F3N2O2.2C22H21F3N2O2S/c26-25(27,28)20-9-11-22(12-10-20)31-16-21(30)14-18-8-7-17-4-1-2-6-23(17)24(18)19-5-3-13-29-15-19;2*25-24(26,27)19-7-9-21(10-8-19)31-16-20(30)15-29-13-11-17-4-1-2-6-22(17)23(29)18-5-3-12-28-14-18;2*23-22(24,25)16-5-7-18(8-6-16)29-13-17(28)12-27-10-9-15-3-1-2-4-19(15)21(27)20-11-26-14-30-20/h1-6,9-13,15,18,21,24,30H,7-8,14,16H2;2*1-10,12,14,20,23,30H,11,13,15-16H2;2*1-8,11,14,17,21,28H,9-10,12-13H2/t;20?,23-;;;/m.0.../s1/i;;23D;21D
• InChIKey: TWXHCIXHZGZPEV-KTDFDKANSA-N
• XLogP: 23.70
• TPSA: 224.71 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 21
• Rotatable Bonds: 30
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2155.35
LogP ≤ 5	23.70
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 1-(1-deuterio-1-pyridin-3-yl-3,4-dihydroisoquinolin-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[1-deuterio-1-(1,3-thiazol-5-yl)-3,4-dihydroisoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(1R)-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-(1-pyridin-3-yl-1,2,3,4-tetrahydronaphthalen-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[1-(1,3-thiazol-5-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol?

The IUPAC name of 1-(1-deuterio-1-pyridin-3-yl-3,4-dihydroisoquinolin-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[1-deuterio-1-(1,3-thiazol-5-yl)-3,4-dihydroisoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(1R)-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-(1-pyridin-3-yl-1,2,3,4-tetrahydronaphthalen-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[1-(1,3-thiazol-5-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol (CID 167669487) is 1-(1-deuterio-1-pyridin-3-yl-3,4-dihydroisoquinolin-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[1-deuterio-1-(1,3-thiazol-5-yl)-3,4-dihydroisoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(1R)-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-(1-pyridin-3-yl-1,2,3,4-tetrahydronaphthalen-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[1-(1,3-thiazol-5-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol.

What is the SMILES notation for 1-(1-deuterio-1-pyridin-3-yl-3,4-dihydroisoquinolin-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[1-deuterio-1-(1,3-thiazol-5-yl)-3,4-dihydroisoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(1R)-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-(1-pyridin-3-yl-1,2,3,4-tetrahydronaphthalen-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[1-(1,3-thiazol-5-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol?

The canonical SMILES for 1-(1-deuterio-1-pyridin-3-yl-3,4-dihydroisoquinolin-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[1-deuterio-1-(1,3-thiazol-5-yl)-3,4-dihydroisoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(1R)-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-(1-pyridin-3-yl-1,2,3,4-tetrahydronaphthalen-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[1-(1,3-thiazol-5-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol is OC(COc1ccc(C(F)(F)F)cc1)CC1CCc2ccccc2C1c1cccnc1.OC(COc1ccc(C(F)(F)F)cc1)CN1CCc2ccccc2C1c1cncs1.OC(COc1ccc(C(F)(F)F)cc1)CN1CCc2ccccc2[C@@H]1c1cccnc1.[2H]C1(c2cccnc2)c2ccccc2CCN1CC(O)COc1ccc(C(F)(F)F)cc1.[2H]C1(c2cncs2)c2ccccc2CCN1CC(O)COc1ccc(C(F)(F)F)cc1.

What is the InChIKey of 1-(1-deuterio-1-pyridin-3-yl-3,4-dihydroisoquinolin-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[1-deuterio-1-(1,3-thiazol-5-yl)-3,4-dihydroisoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(1R)-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-(1-pyridin-3-yl-1,2,3,4-tetrahydronaphthalen-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[1-(1,3-thiazol-5-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol?

The InChIKey is TWXHCIXHZGZPEV-KTDFDKANSA-N. The full InChI is InChI=1S/C25H24F3NO2.2C24H23F3N2O2.2C22H21F3N2O2S/c26-25(27,28)20-9-11-22(12-10-20)31-16-21(30)14-18-8-7-17-4-1-2-6-23(17)24(18)19-5-3-13-29-15-19;2*25-24(26,27)19-7-9-21(10-8-19)31-16-20(30)15-29-13-11-17-4-1-2-6-22(17)23(29)18-5-3-12-28-14-18;2*23-22(24,25)16-5-7-18(8-6-16)29-13-17(28)12-27-10-9-15-3-1-2-4-19(15)21(27)20-11-26-14-30-20/h1-6,9-13,15,18,21,24,30H,7-8,14,16H2;2*1-10,12,14,20,23,30H,11,13,15-16H2;2*1-8,11,14,17,21,28H,9-10,12-13H2/t;20?,23-;;;/m.0.../s1/i;;23D;21D;.

What are the key properties of 1-(1-deuterio-1-pyridin-3-yl-3,4-dihydroisoquinolin-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[1-deuterio-1-(1,3-thiazol-5-yl)-3,4-dihydroisoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(1R)-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-(1-pyridin-3-yl-1,2,3,4-tetrahydronaphthalen-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[1-(1,3-thiazol-5-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol?

1-(1-deuterio-1-pyridin-3-yl-3,4-dihydroisoquinolin-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[1-deuterio-1-(1,3-thiazol-5-yl)-3,4-dihydroisoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(1R)-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-(1-pyridin-3-yl-1,2,3,4-tetrahydronaphthalen-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[1-(1,3-thiazol-5-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol has a molecular weight of 2155.35 g/mol, XLogP of 23.70, 30 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1-deuterio-1-pyridin-3-yl-3,4-dihydroisoquinolin-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[1-deuterio-1-(1,3-thiazol-5-yl)-3,4-dihydroisoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[(1R)-1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-(1-pyridin-3-yl-1,2,3,4-tetrahydronaphthalen-2-yl)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol;1-[1-(1,3-thiazol-5-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-[4-(trifluoromethyl)phenoxy]propan-2-ol is sourced from PubChem (CID 167669487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).