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

C102H111Cl2F3N12O5 — CID 158238915

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

2-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(2-fluorophenyl)ethanol;2-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-pyridin-3-ylethanol;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-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-pyridin-3-ylethanol (PubChem CID 158238915) has the molecular formula C102H111Cl2F3N12O5 and a molecular weight of 1712.99 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;2-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-pyridin-3-ylethanol;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-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-pyridin-3-ylethanol.

Molecular Properties

• Compound Name: 2-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(2-fluorophenyl)ethanol;2-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-pyridin-3-ylethanol;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-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-pyridin-3-ylethanol
• PubChem CID: 158238915
• Molecular Formula: C102H111Cl2F3N12O5
• Molecular Weight: 1712.99 g/mol
• Exact Mass: 1710.81
• IUPAC Name: 2-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(2-fluorophenyl)ethanol;2-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-pyridin-3-ylethanol;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-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-pyridin-3-ylethanol
• SMILES: CN1CCc2c(n(CC(O)c3ccccc3F)c3ccc(Cl)cc23)C1.CN1CCc2c(n(CC(O)c3cccnc3)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.Cc1ccc2c(c1)c1c(n2CC(O)c2cccnc2)CN(C)CC1
• InChI: InChI=1S/C22H25FN2O.C21H23FN2O.C20H20ClFN2O.C20H23N3O.C19H20ClN3O/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;1-14-7-8-19-17(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;1-14-5-6-18-17(10-14)16-7-9-22(2)12-19(16)23(18)13-20(24)15-4-3-8-21-11-15;1-22-8-6-15-16-9-14(20)4-5-17(16)23(18(15)11-22)12-19(24)13-3-2-7-21-10-13/h4-9,12,26H,10-11,13-14H2,1-3H3;3-8,11,21,25H,9-10,12-13H2,1-2H3;2-7,10,20,25H,8-9,11-12H2,1H3;3-6,8,10-11,20,24H,7,9,12-13H2,1-2H3;2-5,7,9-10,19,24H,6,8,11-12H2,1H3
• InChIKey: GFHPEQBNQGDILC-UHFFFAOYSA-N
• XLogP: 18.43
• TPSA: 167.78 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 17
• Rotatable Bonds: 15
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1712.99
LogP ≤ 5	18.43
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	17

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;2-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-pyridin-3-ylethanol;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-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-pyridin-3-ylethanol?

The IUPAC name of 2-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(2-fluorophenyl)ethanol;2-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-pyridin-3-ylethanol;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-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-pyridin-3-ylethanol (CID 158238915) is 2-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(2-fluorophenyl)ethanol;2-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-pyridin-3-ylethanol;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-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-pyridin-3-ylethanol.

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;2-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-pyridin-3-ylethanol;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-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-pyridin-3-ylethanol?

The canonical SMILES for 2-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(2-fluorophenyl)ethanol;2-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-pyridin-3-ylethanol;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-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-pyridin-3-ylethanol is CN1CCc2c(n(CC(O)c3ccccc3F)c3ccc(Cl)cc23)C1.CN1CCc2c(n(CC(O)c3cccnc3)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.Cc1ccc2c(c1)c1c(n2CC(O)c2cccnc2)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;2-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-pyridin-3-ylethanol;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-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-pyridin-3-ylethanol?

The InChIKey is GFHPEQBNQGDILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O.C21H23FN2O.C20H20ClFN2O.C20H23N3O.C19H20ClN3O/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;1-14-7-8-19-17(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;1-14-5-6-18-17(10-14)16-7-9-22(2)12-19(16)23(18)13-20(24)15-4-3-8-21-11-15;1-22-8-6-15-16-9-14(20)4-5-17(16)23(18(15)11-22)12-19(24)13-3-2-7-21-10-13/h4-9,12,26H,10-11,13-14H2,1-3H3;3-8,11,21,25H,9-10,12-13H2,1-2H3;2-7,10,20,25H,8-9,11-12H2,1H3;3-6,8,10-11,20,24H,7,9,12-13H2,1-2H3;2-5,7,9-10,19,24H,6,8,11-12H2,1H3.

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;2-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-pyridin-3-ylethanol;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-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-pyridin-3-ylethanol?

2-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(2-fluorophenyl)ethanol;2-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-pyridin-3-ylethanol;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-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-pyridin-3-ylethanol has a molecular weight of 1712.99 g/mol, XLogP of 18.43, 15 rotatable bonds, 5 hydrogen bond donors, and 17 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;2-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-pyridin-3-ylethanol;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-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-pyridin-3-ylethanol is sourced from PubChem (CID 158238915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).