2-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(4-fluorophenyl)ethanol;2-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(4-methoxyphenyl)ethanol;1-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-2-pyridin-2-ylpropan-2-ol;1-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-2-pyridin-3-ylpropan-2-ol;1-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-2-pyridin-4-ylpropan-2-ol

C106H124FN13O6 — CID 162226668

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

2-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(4-fluorophenyl)ethanol;2-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(4-methoxyphenyl)ethanol;1-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-2-pyridin-2-ylpropan-2-ol;1-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-2-pyridin-3-ylpropan-2-ol;1-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-2-pyridin-4-ylpropan-2-ol (PubChem CID 162226668) has the molecular formula C106H124FN13O6 and a molecular weight of 1695.24 g/mol. Its IUPAC name is 2-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(4-fluorophenyl)ethanol;2-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(4-methoxyphenyl)ethanol;1-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-2-pyridin-2-ylpropan-2-ol;1-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-2-pyridin-3-ylpropan-2-ol;1-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-2-pyridin-4-ylpropan-2-ol.

Molecular Properties

• Compound Name: 2-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(4-fluorophenyl)ethanol;2-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(4-methoxyphenyl)ethanol;1-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-2-pyridin-2-ylpropan-2-ol;1-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-2-pyridin-3-ylpropan-2-ol;1-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-2-pyridin-4-ylpropan-2-ol
• PubChem CID: 162226668
• Molecular Formula: C106H124FN13O6
• Molecular Weight: 1695.24 g/mol
• Exact Mass: 1693.98
• IUPAC Name: 2-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(4-fluorophenyl)ethanol;2-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(4-methoxyphenyl)ethanol;1-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-2-pyridin-2-ylpropan-2-ol;1-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-2-pyridin-3-ylpropan-2-ol;1-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-2-pyridin-4-ylpropan-2-ol
• SMILES: COc1ccc(C(O)Cn2c3c(c4cc(C)ccc42)CCN(C)C3)cc1.Cc1ccc2c(c1)c1c(n2CC(C)(O)c2ccccn2)CN(C)CC1.Cc1ccc2c(c1)c1c(n2CC(C)(O)c2cccnc2)CN(C)CC1.Cc1ccc2c(c1)c1c(n2CC(C)(O)c2ccncc2)CN(C)CC1.Cc1ccc2c(c1)c1c(n2CC(O)c2ccc(F)cc2)CN(C)CC1
• InChI: InChI=1S/C22H26N2O2.C21H23FN2O.3C21H25N3O/c1-15-4-9-20-19(12-15)18-10-11-23(2)13-21(18)24(20)14-22(25)16-5-7-17(26-3)8-6-16;1-14-3-8-19-18(11-14)17-9-10-23(2)12-20(17)24(19)13-21(25)15-4-6-16(22)7-5-15;1-15-4-5-19-18(12-15)17-8-11-23(3)13-20(17)24(19)14-21(2,25)16-6-9-22-10-7-16;1-15-6-7-19-18(11-15)17-8-10-23(3)13-20(17)24(19)14-21(2,25)16-5-4-9-22-12-16;1-15-7-8-18-17(12-15)16-9-11-23(3)13-19(16)24(18)14-21(2,25)20-6-4-5-10-22-20/h4-9,12,22,25H,10-11,13-14H2,1-3H3;3-8,11,21,25H,9-10,12-13H2,1-2H3;4-7,9-10,12,25H,8,11,13-14H2,1-3H3;4-7,9,11-12,25H,8,10,13-14H2,1-3H3;4-8,10,12,25H,9,11,13-14H2,1-3H3
• InChIKey: ZUVZBNNWSZCYNH-UHFFFAOYSA-N
• XLogP: 17.21
• TPSA: 189.90 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 19
• Rotatable Bonds: 16
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1695.24
LogP ≤ 5	17.21
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(4-fluorophenyl)ethanol;2-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(4-methoxyphenyl)ethanol;1-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-2-pyridin-2-ylpropan-2-ol;1-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-2-pyridin-3-ylpropan-2-ol;1-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-2-pyridin-4-ylpropan-2-ol?

The IUPAC name of 2-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(4-fluorophenyl)ethanol;2-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(4-methoxyphenyl)ethanol;1-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-2-pyridin-2-ylpropan-2-ol;1-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-2-pyridin-3-ylpropan-2-ol;1-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-2-pyridin-4-ylpropan-2-ol (CID 162226668) is 2-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(4-fluorophenyl)ethanol;2-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(4-methoxyphenyl)ethanol;1-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-2-pyridin-2-ylpropan-2-ol;1-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-2-pyridin-3-ylpropan-2-ol;1-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-2-pyridin-4-ylpropan-2-ol.

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

The canonical SMILES for 2-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(4-fluorophenyl)ethanol;2-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(4-methoxyphenyl)ethanol;1-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-2-pyridin-2-ylpropan-2-ol;1-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-2-pyridin-3-ylpropan-2-ol;1-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-2-pyridin-4-ylpropan-2-ol is COc1ccc(C(O)Cn2c3c(c4cc(C)ccc42)CCN(C)C3)cc1.Cc1ccc2c(c1)c1c(n2CC(C)(O)c2ccccn2)CN(C)CC1.Cc1ccc2c(c1)c1c(n2CC(C)(O)c2cccnc2)CN(C)CC1.Cc1ccc2c(c1)c1c(n2CC(C)(O)c2ccncc2)CN(C)CC1.Cc1ccc2c(c1)c1c(n2CC(O)c2ccc(F)cc2)CN(C)CC1.

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

The InChIKey is ZUVZBNNWSZCYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2.C21H23FN2O.3C21H25N3O/c1-15-4-9-20-19(12-15)18-10-11-23(2)13-21(18)24(20)14-22(25)16-5-7-17(26-3)8-6-16;1-14-3-8-19-18(11-14)17-9-10-23(2)12-20(17)24(19)13-21(25)15-4-6-16(22)7-5-15;1-15-4-5-19-18(12-15)17-8-11-23(3)13-20(17)24(19)14-21(2,25)16-6-9-22-10-7-16;1-15-6-7-19-18(11-15)17-8-10-23(3)13-20(17)24(19)14-21(2,25)16-5-4-9-22-12-16;1-15-7-8-18-17(12-15)16-9-11-23(3)13-19(16)24(18)14-21(2,25)20-6-4-5-10-22-20/h4-9,12,22,25H,10-11,13-14H2,1-3H3;3-8,11,21,25H,9-10,12-13H2,1-2H3;4-7,9-10,12,25H,8,11,13-14H2,1-3H3;4-7,9,11-12,25H,8,10,13-14H2,1-3H3;4-8,10,12,25H,9,11,13-14H2,1-3H3.

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

2-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(4-fluorophenyl)ethanol;2-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(4-methoxyphenyl)ethanol;1-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-2-pyridin-2-ylpropan-2-ol;1-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-2-pyridin-3-ylpropan-2-ol;1-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-2-pyridin-4-ylpropan-2-ol has a molecular weight of 1695.24 g/mol, XLogP of 17.21, 16 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(4-fluorophenyl)ethanol;2-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(4-methoxyphenyl)ethanol;1-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-2-pyridin-2-ylpropan-2-ol;1-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-2-pyridin-3-ylpropan-2-ol;1-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-2-pyridin-4-ylpropan-2-ol is sourced from PubChem (CID 162226668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).