2-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(2-fluorophenyl)ethanol;1-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-2-(4-fluorophenyl)propan-2-ol;2-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(2-fluorophenyl)ethanol;1-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-2-(4-fluorophenyl)propan-2-ol

C84H90Cl2F4N8O4 — CID 158979737

About 2-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(2-fluorophenyl)ethanol;1-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-2-(4-fluorophenyl)propan-2-ol;2-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(2-fluorophenyl)ethanol;1-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-2-(4-fluorophenyl)propan-2-ol

2-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(2-fluorophenyl)ethanol;1-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-2-(4-fluorophenyl)propan-2-ol;2-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(2-fluorophenyl)ethanol;1-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-2-(4-fluorophenyl)propan-2-ol (PubChem CID 158979737) has the molecular formula C84H90Cl2F4N8O4 and a molecular weight of 1422.59 g/mol. Its IUPAC name is 2-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(2-fluorophenyl)ethanol;1-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-2-(4-fluorophenyl)propan-2-ol;2-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(2-fluorophenyl)ethanol;1-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-2-(4-fluorophenyl)propan-2-ol.

Molecular Properties

• Compound Name: 2-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(2-fluorophenyl)ethanol;1-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-2-(4-fluorophenyl)propan-2-ol;2-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(2-fluorophenyl)ethanol;1-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-2-(4-fluorophenyl)propan-2-ol
• PubChem CID: 158979737
• Molecular Formula: C84H90Cl2F4N8O4
• Molecular Weight: 1422.59 g/mol
• Exact Mass: 1420.64
• IUPAC Name: 2-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(2-fluorophenyl)ethanol;1-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-2-(4-fluorophenyl)propan-2-ol;2-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(2-fluorophenyl)ethanol;1-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-2-(4-fluorophenyl)propan-2-ol
• SMILES: CN1CCc2c(n(CC(C)(O)c3ccc(F)cc3)c3ccc(Cl)cc23)C1.CN1CCc2c(n(CC(O)c3ccccc3F)c3ccc(Cl)cc23)C1.Cc1ccc2c(c1)c1c(n2CC(C)(O)c2ccc(F)cc2)CN(C)CC1.Cc1ccc2c(c1)c1c(n2CC(O)c2ccccc2F)CN(C)CC1
• InChI: InChI=1S/C22H25FN2O.C21H22ClFN2O.C21H23FN2O.C20H20ClFN2O/c1-15-4-9-20-19(12-15)18-10-11-24(3)13-21(18)25(20)14-22(2,26)16-5-7-17(23)8-6-16;1-21(26,14-3-6-16(23)7-4-14)13-25-19-8-5-15(22)11-18(19)17-9-10-24(2)12-20(17)25;1-14-7-8-19-17(11-14)15-9-10-23(2)12-20(15)24(19)13-21(25)16-5-3-4-6-18(16)22;1-23-9-8-14-16-10-13(21)6-7-18(16)24(19(14)11-23)12-20(25)15-4-2-3-5-17(15)22/h4-9,12,26H,10-11,13-14H2,1-3H3;3-8,11,26H,9-10,12-13H2,1-2H3;3-8,11,21,25H,9-10,12-13H2,1-2H3;2-7,10,20,25H,8-9,11-12H2,1H3
• InChIKey: JOVOLGLKIGPGAH-UHFFFAOYSA-N
• XLogP: 16.28
• TPSA: 113.60 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1422.59
LogP ≤ 5	16.28
H-Bond Donors ≤ 5	4
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-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(2-fluorophenyl)ethanol;1-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-2-(4-fluorophenyl)propan-2-ol;2-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(2-fluorophenyl)ethanol;1-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-2-(4-fluorophenyl)propan-2-ol?

The IUPAC name of 2-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(2-fluorophenyl)ethanol;1-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-2-(4-fluorophenyl)propan-2-ol;2-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(2-fluorophenyl)ethanol;1-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-2-(4-fluorophenyl)propan-2-ol (CID 158979737) is 2-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(2-fluorophenyl)ethanol;1-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-2-(4-fluorophenyl)propan-2-ol;2-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(2-fluorophenyl)ethanol;1-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-2-(4-fluorophenyl)propan-2-ol.

What is the SMILES notation for 2-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(2-fluorophenyl)ethanol;1-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-2-(4-fluorophenyl)propan-2-ol;2-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(2-fluorophenyl)ethanol;1-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-2-(4-fluorophenyl)propan-2-ol?

The canonical SMILES for 2-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(2-fluorophenyl)ethanol;1-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-2-(4-fluorophenyl)propan-2-ol;2-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(2-fluorophenyl)ethanol;1-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-2-(4-fluorophenyl)propan-2-ol is CN1CCc2c(n(CC(C)(O)c3ccc(F)cc3)c3ccc(Cl)cc23)C1.CN1CCc2c(n(CC(O)c3ccccc3F)c3ccc(Cl)cc23)C1.Cc1ccc2c(c1)c1c(n2CC(C)(O)c2ccc(F)cc2)CN(C)CC1.Cc1ccc2c(c1)c1c(n2CC(O)c2ccccc2F)CN(C)CC1.

What is the InChIKey of 2-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(2-fluorophenyl)ethanol;1-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-2-(4-fluorophenyl)propan-2-ol;2-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(2-fluorophenyl)ethanol;1-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-2-(4-fluorophenyl)propan-2-ol?

The InChIKey is JOVOLGLKIGPGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O.C21H22ClFN2O.C21H23FN2O.C20H20ClFN2O/c1-15-4-9-20-19(12-15)18-10-11-24(3)13-21(18)25(20)14-22(2,26)16-5-7-17(23)8-6-16;1-21(26,14-3-6-16(23)7-4-14)13-25-19-8-5-15(22)11-18(19)17-9-10-24(2)12-20(17)25;1-14-7-8-19-17(11-14)15-9-10-23(2)12-20(15)24(19)13-21(25)16-5-3-4-6-18(16)22;1-23-9-8-14-16-10-13(21)6-7-18(16)24(19(14)11-23)12-20(25)15-4-2-3-5-17(15)22/h4-9,12,26H,10-11,13-14H2,1-3H3;3-8,11,26H,9-10,12-13H2,1-2H3;3-8,11,21,25H,9-10,12-13H2,1-2H3;2-7,10,20,25H,8-9,11-12H2,1H3.

What are the key properties of 2-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(2-fluorophenyl)ethanol;1-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-2-(4-fluorophenyl)propan-2-ol;2-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(2-fluorophenyl)ethanol;1-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-2-(4-fluorophenyl)propan-2-ol?

2-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(2-fluorophenyl)ethanol;1-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-2-(4-fluorophenyl)propan-2-ol;2-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(2-fluorophenyl)ethanol;1-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-2-(4-fluorophenyl)propan-2-ol has a molecular weight of 1422.59 g/mol, XLogP of 16.28, 12 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(2-fluorophenyl)ethanol;1-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-2-(4-fluorophenyl)propan-2-ol;2-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(2-fluorophenyl)ethanol;1-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-2-(4-fluorophenyl)propan-2-ol is sourced from PubChem (CID 158979737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).