2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(3-fluoro-4-methoxyphenyl)ethanol;2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-[5-(trifluoromethyl)-3-pyridinyl]ethanol;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-[5-(trifluoromethyl)-3-pyridinyl]ethanol

C62H63Cl2F7N8O4 — CID 159195073

About 2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(3-fluoro-4-methoxyphenyl)ethanol;2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-[5-(trifluoromethyl)-3-pyridinyl]ethanol;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-[5-(trifluoromethyl)-3-pyridinyl]ethanol

2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(3-fluoro-4-methoxyphenyl)ethanol;2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-[5-(trifluoromethyl)-3-pyridinyl]ethanol;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-[5-(trifluoromethyl)-3-pyridinyl]ethanol (PubChem CID 159195073) has the molecular formula C62H63Cl2F7N8O4 and a molecular weight of 1188.13 g/mol. Its IUPAC name is 2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(3-fluoro-4-methoxyphenyl)ethanol;2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-[5-(trifluoromethyl)-3-pyridinyl]ethanol;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-[5-(trifluoromethyl)-3-pyridinyl]ethanol.

Molecular Properties

• Compound Name: 2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(3-fluoro-4-methoxyphenyl)ethanol;2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-[5-(trifluoromethyl)-3-pyridinyl]ethanol;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-[5-(trifluoromethyl)-3-pyridinyl]ethanol
• PubChem CID: 159195073
• Molecular Formula: C62H63Cl2F7N8O4
• Molecular Weight: 1188.13 g/mol
• Exact Mass: 1186.42
• IUPAC Name: 2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(3-fluoro-4-methoxyphenyl)ethanol;2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-[5-(trifluoromethyl)-3-pyridinyl]ethanol;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-[5-(trifluoromethyl)-3-pyridinyl]ethanol
• SMILES: CN1CCc2c(c3cc(Cl)ccc3n2CC(O)c2cncc(C(F)(F)F)c2)C1.COc1ccc(C(O)Cn2c3c(c4cc(Cl)ccc42)CN(C)CC3)cc1F.Cc1ccc2c(c1)c1c(n2CC(O)c2cncc(C(F)(F)F)c2)CCN(C)C1
• InChI: InChI=1S/C21H22ClFN2O2.C21H22F3N3O.C20H19ClF3N3O/c1-24-8-7-19-16(11-24)15-10-14(22)4-5-18(15)25(19)12-20(26)13-3-6-21(27-2)17(23)9-13;1-13-3-4-18-16(7-13)17-11-26(2)6-5-19(17)27(18)12-20(28)14-8-15(10-25-9-14)21(22,23)24;1-26-5-4-18-16(10-26)15-7-14(21)2-3-17(15)27(18)11-19(28)12-6-13(9-25-8-12)20(22,23)24/h3-6,9-10,20,26H,7-8,11-12H2,1-2H3;3-4,7-10,20,28H,5-6,11-12H2,1-2H3;2-3,6-9,19,28H,4-5,10-11H2,1H3
• InChIKey: KOOGVJRZTCZFLJ-UHFFFAOYSA-N
• XLogP: 12.68
• TPSA: 120.21 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1188.13
LogP ≤ 5	12.68
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(3-fluoro-4-methoxyphenyl)ethanol;2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-[5-(trifluoromethyl)-3-pyridinyl]ethanol;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-[5-(trifluoromethyl)-3-pyridinyl]ethanol?

The IUPAC name of 2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(3-fluoro-4-methoxyphenyl)ethanol;2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-[5-(trifluoromethyl)-3-pyridinyl]ethanol;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-[5-(trifluoromethyl)-3-pyridinyl]ethanol (CID 159195073) is 2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(3-fluoro-4-methoxyphenyl)ethanol;2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-[5-(trifluoromethyl)-3-pyridinyl]ethanol;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-[5-(trifluoromethyl)-3-pyridinyl]ethanol.

What is the SMILES notation for 2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(3-fluoro-4-methoxyphenyl)ethanol;2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-[5-(trifluoromethyl)-3-pyridinyl]ethanol;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-[5-(trifluoromethyl)-3-pyridinyl]ethanol?

The canonical SMILES for 2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(3-fluoro-4-methoxyphenyl)ethanol;2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-[5-(trifluoromethyl)-3-pyridinyl]ethanol;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-[5-(trifluoromethyl)-3-pyridinyl]ethanol is CN1CCc2c(c3cc(Cl)ccc3n2CC(O)c2cncc(C(F)(F)F)c2)C1.COc1ccc(C(O)Cn2c3c(c4cc(Cl)ccc42)CN(C)CC3)cc1F.Cc1ccc2c(c1)c1c(n2CC(O)c2cncc(C(F)(F)F)c2)CCN(C)C1.

What is the InChIKey of 2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(3-fluoro-4-methoxyphenyl)ethanol;2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-[5-(trifluoromethyl)-3-pyridinyl]ethanol;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-[5-(trifluoromethyl)-3-pyridinyl]ethanol?

The InChIKey is KOOGVJRZTCZFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClFN2O2.C21H22F3N3O.C20H19ClF3N3O/c1-24-8-7-19-16(11-24)15-10-14(22)4-5-18(15)25(19)12-20(26)13-3-6-21(27-2)17(23)9-13;1-13-3-4-18-16(7-13)17-11-26(2)6-5-19(17)27(18)12-20(28)14-8-15(10-25-9-14)21(22,23)24;1-26-5-4-18-16(10-26)15-7-14(21)2-3-17(15)27(18)11-19(28)12-6-13(9-25-8-12)20(22,23)24/h3-6,9-10,20,26H,7-8,11-12H2,1-2H3;3-4,7-10,20,28H,5-6,11-12H2,1-2H3;2-3,6-9,19,28H,4-5,10-11H2,1H3.

What are the key properties of 2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(3-fluoro-4-methoxyphenyl)ethanol;2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-[5-(trifluoromethyl)-3-pyridinyl]ethanol;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-[5-(trifluoromethyl)-3-pyridinyl]ethanol?

2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(3-fluoro-4-methoxyphenyl)ethanol;2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-[5-(trifluoromethyl)-3-pyridinyl]ethanol;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-[5-(trifluoromethyl)-3-pyridinyl]ethanol has a molecular weight of 1188.13 g/mol, XLogP of 12.68, 10 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(3-fluoro-4-methoxyphenyl)ethanol;2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-[5-(trifluoromethyl)-3-pyridinyl]ethanol;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-[5-(trifluoromethyl)-3-pyridinyl]ethanol is sourced from PubChem (CID 159195073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).