(3S,4S)-8-[[3-(2,6-dimethylphenyl)-2-methylphenyl]methoxy]-3-methyl-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-triene;5-[[5-[4-fluoro-3-[[(2S,3S,4R)-3-(1-hydroxyethenyl)-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-trien-8-yl]oxymethyl]phenyl]-4-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpentan-2-ol;5-[4-[4-fluoro-3-[[(2R,3S,4S)-3-methyl-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-trien-8-yl]oxymethyl]phenyl]-3,5-dimethylphenyl]-2-methylpentan-2-ol;(2R,3S,4S)-8-[[2-fluoro-5-[4-methyl-6-(3-methylsulfonylpropoxy)-3-pyridinyl]phenyl]methoxy]-3-methyl-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-triene;1-[(2S,3S,4R)-8-[[2-fluoro-5-[6-(3-methylsulfonylpropoxy)-4-(trifluoromethyl)-3-pyridinyl]phenyl]methoxy]-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-trien-3-yl]ethenol;1-[(2S,3S,4R)-8-[[3-[2-methyl-6-(3-methylsulfonylpropoxy)-3-pyridinyl]-4-(trifluoromethyl)phenyl]methoxy]-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-trien-3-yl]ethenol

C171H177F13N10O21S3 — CID 161163427

About (3S,4S)-8-[[3-(2,6-dimethylphenyl)-2-methylphenyl]methoxy]-3-methyl-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-triene;5-[[5-[4-fluoro-3-[[(2S,3S,4R)-3-(1-hydroxyethenyl)-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-trien-8-yl]oxymethyl]phenyl]-4-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpentan-2-ol;5-[4-[4-fluoro-3-[[(2R,3S,4S)-3-methyl-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-trien-8-yl]oxymethyl]phenyl]-3,5-dimethylphenyl]-2-methylpentan-2-ol;(2R,3S,4S)-8-[[2-fluoro-5-[4-methyl-6-(3-methylsulfonylpropoxy)-3-pyridinyl]phenyl]methoxy]-3-methyl-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-triene;1-[(2S,3S,4R)-8-[[2-fluoro-5-[6-(3-methylsulfonylpropoxy)-4-(trifluoromethyl)-3-pyridinyl]phenyl]methoxy]-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-trien-3-yl]ethenol;1-[(2S,3S,4R)-8-[[3-[2-methyl-6-(3-methylsulfonylpropoxy)-3-pyridinyl]-4-(trifluoromethyl)phenyl]methoxy]-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-trien-3-yl]ethenol

(3S,4S)-8-[[3-(2,6-dimethylphenyl)-2-methylphenyl]methoxy]-3-methyl-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-triene;5-[[5-[4-fluoro-3-[[(2S,3S,4R)-3-(1-hydroxyethenyl)-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-trien-8-yl]oxymethyl]phenyl]-4-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpentan-2-ol;5-[4-[4-fluoro-3-[[(2R,3S,4S)-3-methyl-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-trien-8-yl]oxymethyl]phenyl]-3,5-dimethylphenyl]-2-methylpentan-2-ol;(2R,3S,4S)-8-[[2-fluoro-5-[4-methyl-6-(3-methylsulfonylpropoxy)-3-pyridinyl]phenyl]methoxy]-3-methyl-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-triene;1-[(2S,3S,4R)-8-[[2-fluoro-5-[6-(3-methylsulfonylpropoxy)-4-(trifluoromethyl)-3-pyridinyl]phenyl]methoxy]-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-trien-3-yl]ethenol;1-[(2S,3S,4R)-8-[[3-[2-methyl-6-(3-methylsulfonylpropoxy)-3-pyridinyl]-4-(trifluoromethyl)phenyl]methoxy]-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-trien-3-yl]ethenol (PubChem CID 161163427) has the molecular formula C171H177F13N10O21S3 and a molecular weight of 3051.52 g/mol. Its IUPAC name is (3S,4S)-8-[[3-(2,6-dimethylphenyl)-2-methylphenyl]methoxy]-3-methyl-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-triene;5-[[5-[4-fluoro-3-[[(2S,3S,4R)-3-(1-hydroxyethenyl)-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-trien-8-yl]oxymethyl]phenyl]-4-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpentan-2-ol;5-[4-[4-fluoro-3-[[(2R,3S,4S)-3-methyl-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-trien-8-yl]oxymethyl]phenyl]-3,5-dimethylphenyl]-2-methylpentan-2-ol;(2R,3S,4S)-8-[[2-fluoro-5-[4-methyl-6-(3-methylsulfonylpropoxy)-3-pyridinyl]phenyl]methoxy]-3-methyl-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-triene;1-[(2S,3S,4R)-8-[[2-fluoro-5-[6-(3-methylsulfonylpropoxy)-4-(trifluoromethyl)-3-pyridinyl]phenyl]methoxy]-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-trien-3-yl]ethenol;1-[(2S,3S,4R)-8-[[3-[2-methyl-6-(3-methylsulfonylpropoxy)-3-pyridinyl]-4-(trifluoromethyl)phenyl]methoxy]-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-trien-3-yl]ethenol.

Molecular Properties

• Compound Name: (3S,4S)-8-[[3-(2,6-dimethylphenyl)-2-methylphenyl]methoxy]-3-methyl-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-triene;5-[[5-[4-fluoro-3-[[(2S,3S,4R)-3-(1-hydroxyethenyl)-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-trien-8-yl]oxymethyl]phenyl]-4-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpentan-2-ol;5-[4-[4-fluoro-3-[[(2R,3S,4S)-3-methyl-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-trien-8-yl]oxymethyl]phenyl]-3,5-dimethylphenyl]-2-methylpentan-2-ol;(2R,3S,4S)-8-[[2-fluoro-5-[4-methyl-6-(3-methylsulfonylpropoxy)-3-pyridinyl]phenyl]methoxy]-3-methyl-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-triene;1-[(2S,3S,4R)-8-[[2-fluoro-5-[6-(3-methylsulfonylpropoxy)-4-(trifluoromethyl)-3-pyridinyl]phenyl]methoxy]-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-trien-3-yl]ethenol;1-[(2S,3S,4R)-8-[[3-[2-methyl-6-(3-methylsulfonylpropoxy)-3-pyridinyl]-4-(trifluoromethyl)phenyl]methoxy]-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-trien-3-yl]ethenol
• PubChem CID: 161163427
• Molecular Formula: C171H177F13N10O21S3
• Molecular Weight: 3051.52 g/mol
• Exact Mass: 3049.20
• IUPAC Name: (3S,4S)-8-[[3-(2,6-dimethylphenyl)-2-methylphenyl]methoxy]-3-methyl-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-triene;5-[[5-[4-fluoro-3-[[(2S,3S,4R)-3-(1-hydroxyethenyl)-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-trien-8-yl]oxymethyl]phenyl]-4-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpentan-2-ol;5-[4-[4-fluoro-3-[[(2R,3S,4S)-3-methyl-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-trien-8-yl]oxymethyl]phenyl]-3,5-dimethylphenyl]-2-methylpentan-2-ol;(2R,3S,4S)-8-[[2-fluoro-5-[4-methyl-6-(3-methylsulfonylpropoxy)-3-pyridinyl]phenyl]methoxy]-3-methyl-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-triene;1-[(2S,3S,4R)-8-[[2-fluoro-5-[6-(3-methylsulfonylpropoxy)-4-(trifluoromethyl)-3-pyridinyl]phenyl]methoxy]-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-trien-3-yl]ethenol;1-[(2S,3S,4R)-8-[[3-[2-methyl-6-(3-methylsulfonylpropoxy)-3-pyridinyl]-4-(trifluoromethyl)phenyl]methoxy]-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-trien-3-yl]ethenol
• SMILES: C=C(O)[C@H]1[C@@H]2Cc3cc(OCc4cc(-c5cnc(OCCCC(C)(C)O)cc5C(F)(F)F)ccc4F)ncc3[C@@H]21.C=C(O)[C@H]1[C@@H]2Cc3cc(OCc4cc(-c5cnc(OCCCS(C)(=O)=O)cc5C(F)(F)F)ccc4F)ncc3[C@@H]21.C=C(O)[C@H]1[C@@H]2Cc3cc(OCc4ccc(C(F)(F)F)c(-c5ccc(OCCCS(C)(=O)=O)nc5C)c4)ncc3[C@@H]21.Cc1cc(CCCC(C)(C)O)cc(C)c1-c1ccc(F)c(COc2cc3c(cn2)[C@@H]2[C@@H](C)[C@@H]2C3)c1.Cc1cc(OCCCS(C)(=O)=O)ncc1-c1ccc(F)c(COc2cc3c(cn2)[C@@H]2[C@@H](C)[C@@H]2C3)c1.Cc1cccc(C)c1-c1cccc(COc2cc3c(cn2)C2[C@@H](C)[C@@H]2C3)c1C
• InChI: InChI=1S/C31H36FNO2.C30H30F4N2O4.C29H29F3N2O5S.C28H26F4N2O5S.C27H29FN2O4S.C26H27NO/c1-18-11-21(7-6-10-31(4,5)34)12-19(2)29(18)22-8-9-27(32)24(13-22)17-35-28-15-23-14-25-20(3)30(25)26(23)16-33-28;1-16(37)27-20-10-18-11-25(36-14-22(18)28(20)27)40-15-19-9-17(5-6-24(19)31)21-13-35-26(12-23(21)30(32,33)34)39-8-4-7-29(2,3)38;1-16-20(6-8-25(34-16)38-9-4-10-40(3,36)37)21-11-18(5-7-24(21)29(30,31)32)15-39-26-13-19-12-22-27(17(2)35)28(22)23(19)14-33-26;1-15(35)26-19-9-17-10-24(34-13-21(17)27(19)26)39-14-18-8-16(4-5-23(18)29)20-12-33-25(11-22(20)28(30,31)32)38-6-3-7-40(2,36)37;1-16-9-25(33-7-4-8-35(3,31)32)29-13-22(16)18-5-6-24(28)20(10-18)15-34-26-12-19-11-21-17(2)27(21)23(19)14-30-26;1-15-7-5-8-16(2)25(15)21-10-6-9-19(17(21)3)14-28-24-12-20-11-22-18(4)26(22)23(20)13-27-24/h8-9,11-13,15-16,20,25,30,34H,6-7,10,14,17H2,1-5H3;5-6,9,11-14,20,27-28,37-38H,1,4,7-8,10,15H2,2-3H3;5-8,11,13-14,22,27-28,35H,2,4,9-10,12,15H2,1,3H3;4-5,8,10-13,19,26-27,35H,1,3,6-7,9,14H2,2H3;5-6,9-10,12-14,17,21,27H,4,7-8,11,15H2,1-3H3;5-10,12-13,18,22,26H,11,14H2,1-4H3/t20-,25-,30+;20-,27-,28+;22-,27-,28+;19-,26-,27+;17-,21-,27+;18-,22-,26?/m000000/s1
• InChIKey: UQFJFOONRHAPEO-WWRUDMQZSA-N
• XLogP: 36.37
• TPSA: 424.77 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 31
• Rotatable Bonds: 51
• Heavy Atoms: 218
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3051.52
LogP ≤ 5	36.37
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-8-[[3-(2,6-dimethylphenyl)-2-methylphenyl]methoxy]-3-methyl-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-triene;5-[[5-[4-fluoro-3-[[(2S,3S,4R)-3-(1-hydroxyethenyl)-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-trien-8-yl]oxymethyl]phenyl]-4-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpentan-2-ol;5-[4-[4-fluoro-3-[[(2R,3S,4S)-3-methyl-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-trien-8-yl]oxymethyl]phenyl]-3,5-dimethylphenyl]-2-methylpentan-2-ol;(2R,3S,4S)-8-[[2-fluoro-5-[4-methyl-6-(3-methylsulfonylpropoxy)-3-pyridinyl]phenyl]methoxy]-3-methyl-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-triene;1-[(2S,3S,4R)-8-[[2-fluoro-5-[6-(3-methylsulfonylpropoxy)-4-(trifluoromethyl)-3-pyridinyl]phenyl]methoxy]-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-trien-3-yl]ethenol;1-[(2S,3S,4R)-8-[[3-[2-methyl-6-(3-methylsulfonylpropoxy)-3-pyridinyl]-4-(trifluoromethyl)phenyl]methoxy]-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-trien-3-yl]ethenol?

The IUPAC name of (3S,4S)-8-[[3-(2,6-dimethylphenyl)-2-methylphenyl]methoxy]-3-methyl-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-triene;5-[[5-[4-fluoro-3-[[(2S,3S,4R)-3-(1-hydroxyethenyl)-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-trien-8-yl]oxymethyl]phenyl]-4-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpentan-2-ol;5-[4-[4-fluoro-3-[[(2R,3S,4S)-3-methyl-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-trien-8-yl]oxymethyl]phenyl]-3,5-dimethylphenyl]-2-methylpentan-2-ol;(2R,3S,4S)-8-[[2-fluoro-5-[4-methyl-6-(3-methylsulfonylpropoxy)-3-pyridinyl]phenyl]methoxy]-3-methyl-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-triene;1-[(2S,3S,4R)-8-[[2-fluoro-5-[6-(3-methylsulfonylpropoxy)-4-(trifluoromethyl)-3-pyridinyl]phenyl]methoxy]-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-trien-3-yl]ethenol;1-[(2S,3S,4R)-8-[[3-[2-methyl-6-(3-methylsulfonylpropoxy)-3-pyridinyl]-4-(trifluoromethyl)phenyl]methoxy]-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-trien-3-yl]ethenol (CID 161163427) is (3S,4S)-8-[[3-(2,6-dimethylphenyl)-2-methylphenyl]methoxy]-3-methyl-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-triene;5-[[5-[4-fluoro-3-[[(2S,3S,4R)-3-(1-hydroxyethenyl)-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-trien-8-yl]oxymethyl]phenyl]-4-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpentan-2-ol;5-[4-[4-fluoro-3-[[(2R,3S,4S)-3-methyl-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-trien-8-yl]oxymethyl]phenyl]-3,5-dimethylphenyl]-2-methylpentan-2-ol;(2R,3S,4S)-8-[[2-fluoro-5-[4-methyl-6-(3-methylsulfonylpropoxy)-3-pyridinyl]phenyl]methoxy]-3-methyl-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-triene;1-[(2S,3S,4R)-8-[[2-fluoro-5-[6-(3-methylsulfonylpropoxy)-4-(trifluoromethyl)-3-pyridinyl]phenyl]methoxy]-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-trien-3-yl]ethenol;1-[(2S,3S,4R)-8-[[3-[2-methyl-6-(3-methylsulfonylpropoxy)-3-pyridinyl]-4-(trifluoromethyl)phenyl]methoxy]-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-trien-3-yl]ethenol.

What is the SMILES notation for (3S,4S)-8-[[3-(2,6-dimethylphenyl)-2-methylphenyl]methoxy]-3-methyl-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-triene;5-[[5-[4-fluoro-3-[[(2S,3S,4R)-3-(1-hydroxyethenyl)-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-trien-8-yl]oxymethyl]phenyl]-4-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpentan-2-ol;5-[4-[4-fluoro-3-[[(2R,3S,4S)-3-methyl-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-trien-8-yl]oxymethyl]phenyl]-3,5-dimethylphenyl]-2-methylpentan-2-ol;(2R,3S,4S)-8-[[2-fluoro-5-[4-methyl-6-(3-methylsulfonylpropoxy)-3-pyridinyl]phenyl]methoxy]-3-methyl-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-triene;1-[(2S,3S,4R)-8-[[2-fluoro-5-[6-(3-methylsulfonylpropoxy)-4-(trifluoromethyl)-3-pyridinyl]phenyl]methoxy]-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-trien-3-yl]ethenol;1-[(2S,3S,4R)-8-[[3-[2-methyl-6-(3-methylsulfonylpropoxy)-3-pyridinyl]-4-(trifluoromethyl)phenyl]methoxy]-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-trien-3-yl]ethenol?

The canonical SMILES for (3S,4S)-8-[[3-(2,6-dimethylphenyl)-2-methylphenyl]methoxy]-3-methyl-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-triene;5-[[5-[4-fluoro-3-[[(2S,3S,4R)-3-(1-hydroxyethenyl)-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-trien-8-yl]oxymethyl]phenyl]-4-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpentan-2-ol;5-[4-[4-fluoro-3-[[(2R,3S,4S)-3-methyl-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-trien-8-yl]oxymethyl]phenyl]-3,5-dimethylphenyl]-2-methylpentan-2-ol;(2R,3S,4S)-8-[[2-fluoro-5-[4-methyl-6-(3-methylsulfonylpropoxy)-3-pyridinyl]phenyl]methoxy]-3-methyl-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-triene;1-[(2S,3S,4R)-8-[[2-fluoro-5-[6-(3-methylsulfonylpropoxy)-4-(trifluoromethyl)-3-pyridinyl]phenyl]methoxy]-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-trien-3-yl]ethenol;1-[(2S,3S,4R)-8-[[3-[2-methyl-6-(3-methylsulfonylpropoxy)-3-pyridinyl]-4-(trifluoromethyl)phenyl]methoxy]-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-trien-3-yl]ethenol is C=C(O)[C@H]1[C@@H]2Cc3cc(OCc4cc(-c5cnc(OCCCC(C)(C)O)cc5C(F)(F)F)ccc4F)ncc3[C@@H]21.C=C(O)[C@H]1[C@@H]2Cc3cc(OCc4cc(-c5cnc(OCCCS(C)(=O)=O)cc5C(F)(F)F)ccc4F)ncc3[C@@H]21.C=C(O)[C@H]1[C@@H]2Cc3cc(OCc4ccc(C(F)(F)F)c(-c5ccc(OCCCS(C)(=O)=O)nc5C)c4)ncc3[C@@H]21.Cc1cc(CCCC(C)(C)O)cc(C)c1-c1ccc(F)c(COc2cc3c(cn2)[C@@H]2[C@@H](C)[C@@H]2C3)c1.Cc1cc(OCCCS(C)(=O)=O)ncc1-c1ccc(F)c(COc2cc3c(cn2)[C@@H]2[C@@H](C)[C@@H]2C3)c1.Cc1cccc(C)c1-c1cccc(COc2cc3c(cn2)C2[C@@H](C)[C@@H]2C3)c1C.

What is the InChIKey of (3S,4S)-8-[[3-(2,6-dimethylphenyl)-2-methylphenyl]methoxy]-3-methyl-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-triene;5-[[5-[4-fluoro-3-[[(2S,3S,4R)-3-(1-hydroxyethenyl)-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-trien-8-yl]oxymethyl]phenyl]-4-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpentan-2-ol;5-[4-[4-fluoro-3-[[(2R,3S,4S)-3-methyl-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-trien-8-yl]oxymethyl]phenyl]-3,5-dimethylphenyl]-2-methylpentan-2-ol;(2R,3S,4S)-8-[[2-fluoro-5-[4-methyl-6-(3-methylsulfonylpropoxy)-3-pyridinyl]phenyl]methoxy]-3-methyl-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-triene;1-[(2S,3S,4R)-8-[[2-fluoro-5-[6-(3-methylsulfonylpropoxy)-4-(trifluoromethyl)-3-pyridinyl]phenyl]methoxy]-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-trien-3-yl]ethenol;1-[(2S,3S,4R)-8-[[3-[2-methyl-6-(3-methylsulfonylpropoxy)-3-pyridinyl]-4-(trifluoromethyl)phenyl]methoxy]-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-trien-3-yl]ethenol?

The InChIKey is UQFJFOONRHAPEO-WWRUDMQZSA-N. The full InChI is InChI=1S/C31H36FNO2.C30H30F4N2O4.C29H29F3N2O5S.C28H26F4N2O5S.C27H29FN2O4S.C26H27NO/c1-18-11-21(7-6-10-31(4,5)34)12-19(2)29(18)22-8-9-27(32)24(13-22)17-35-28-15-23-14-25-20(3)30(25)26(23)16-33-28;1-16(37)27-20-10-18-11-25(36-14-22(18)28(20)27)40-15-19-9-17(5-6-24(19)31)21-13-35-26(12-23(21)30(32,33)34)39-8-4-7-29(2,3)38;1-16-20(6-8-25(34-16)38-9-4-10-40(3,36)37)21-11-18(5-7-24(21)29(30,31)32)15-39-26-13-19-12-22-27(17(2)35)28(22)23(19)14-33-26;1-15(35)26-19-9-17-10-24(34-13-21(17)27(19)26)39-14-18-8-16(4-5-23(18)29)20-12-33-25(11-22(20)28(30,31)32)38-6-3-7-40(2,36)37;1-16-9-25(33-7-4-8-35(3,31)32)29-13-22(16)18-5-6-24(28)20(10-18)15-34-26-12-19-11-21-17(2)27(21)23(19)14-30-26;1-15-7-5-8-16(2)25(15)21-10-6-9-19(17(21)3)14-28-24-12-20-11-22-18(4)26(22)23(20)13-27-24/h8-9,11-13,15-16,20,25,30,34H,6-7,10,14,17H2,1-5H3;5-6,9,11-14,20,27-28,37-38H,1,4,7-8,10,15H2,2-3H3;5-8,11,13-14,22,27-28,35H,2,4,9-10,12,15H2,1,3H3;4-5,8,10-13,19,26-27,35H,1,3,6-7,9,14H2,2H3;5-6,9-10,12-14,17,21,27H,4,7-8,11,15H2,1-3H3;5-10,12-13,18,22,26H,11,14H2,1-4H3/t20-,25-,30+;20-,27-,28+;22-,27-,28+;19-,26-,27+;17-,21-,27+;18-,22-,26?/m000000/s1.

What are the key properties of (3S,4S)-8-[[3-(2,6-dimethylphenyl)-2-methylphenyl]methoxy]-3-methyl-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-triene;5-[[5-[4-fluoro-3-[[(2S,3S,4R)-3-(1-hydroxyethenyl)-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-trien-8-yl]oxymethyl]phenyl]-4-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpentan-2-ol;5-[4-[4-fluoro-3-[[(2R,3S,4S)-3-methyl-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-trien-8-yl]oxymethyl]phenyl]-3,5-dimethylphenyl]-2-methylpentan-2-ol;(2R,3S,4S)-8-[[2-fluoro-5-[4-methyl-6-(3-methylsulfonylpropoxy)-3-pyridinyl]phenyl]methoxy]-3-methyl-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-triene;1-[(2S,3S,4R)-8-[[2-fluoro-5-[6-(3-methylsulfonylpropoxy)-4-(trifluoromethyl)-3-pyridinyl]phenyl]methoxy]-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-trien-3-yl]ethenol;1-[(2S,3S,4R)-8-[[3-[2-methyl-6-(3-methylsulfonylpropoxy)-3-pyridinyl]-4-(trifluoromethyl)phenyl]methoxy]-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-trien-3-yl]ethenol?

(3S,4S)-8-[[3-(2,6-dimethylphenyl)-2-methylphenyl]methoxy]-3-methyl-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-triene;5-[[5-[4-fluoro-3-[[(2S,3S,4R)-3-(1-hydroxyethenyl)-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-trien-8-yl]oxymethyl]phenyl]-4-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpentan-2-ol;5-[4-[4-fluoro-3-[[(2R,3S,4S)-3-methyl-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-trien-8-yl]oxymethyl]phenyl]-3,5-dimethylphenyl]-2-methylpentan-2-ol;(2R,3S,4S)-8-[[2-fluoro-5-[4-methyl-6-(3-methylsulfonylpropoxy)-3-pyridinyl]phenyl]methoxy]-3-methyl-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-triene;1-[(2S,3S,4R)-8-[[2-fluoro-5-[6-(3-methylsulfonylpropoxy)-4-(trifluoromethyl)-3-pyridinyl]phenyl]methoxy]-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-trien-3-yl]ethenol;1-[(2S,3S,4R)-8-[[3-[2-methyl-6-(3-methylsulfonylpropoxy)-3-pyridinyl]-4-(trifluoromethyl)phenyl]methoxy]-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-trien-3-yl]ethenol has a molecular weight of 3051.52 g/mol, XLogP of 36.37, 51 rotatable bonds, 5 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for (3S,4S)-8-[[3-(2,6-dimethylphenyl)-2-methylphenyl]methoxy]-3-methyl-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-triene;5-[[5-[4-fluoro-3-[[(2S,3S,4R)-3-(1-hydroxyethenyl)-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-trien-8-yl]oxymethyl]phenyl]-4-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpentan-2-ol;5-[4-[4-fluoro-3-[[(2R,3S,4S)-3-methyl-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-trien-8-yl]oxymethyl]phenyl]-3,5-dimethylphenyl]-2-methylpentan-2-ol;(2R,3S,4S)-8-[[2-fluoro-5-[4-methyl-6-(3-methylsulfonylpropoxy)-3-pyridinyl]phenyl]methoxy]-3-methyl-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-triene;1-[(2S,3S,4R)-8-[[2-fluoro-5-[6-(3-methylsulfonylpropoxy)-4-(trifluoromethyl)-3-pyridinyl]phenyl]methoxy]-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-trien-3-yl]ethenol;1-[(2S,3S,4R)-8-[[3-[2-methyl-6-(3-methylsulfonylpropoxy)-3-pyridinyl]-4-(trifluoromethyl)phenyl]methoxy]-9-azatricyclo[4.4.0.02,4]deca-1(10),6,8-trien-3-yl]ethenol is sourced from PubChem (CID 161163427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).