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

C83H93Cl2FN10O6 — CID 157297777

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

1-(6-chloro-2-methyl-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-pyridin-2-ylethanol;1-(3,4-dimethoxyphenyl)-2-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)ethanol;2-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-pyridin-2-ylethanol (PubChem CID 157297777) has the molecular formula C83H93Cl2FN10O6 and a molecular weight of 1416.62 g/mol. Its IUPAC name is 1-(6-chloro-2-methyl-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-pyridin-2-ylethanol;1-(3,4-dimethoxyphenyl)-2-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)ethanol;2-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-pyridin-2-ylethanol.

Molecular Properties

• Compound Name: 1-(6-chloro-2-methyl-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-pyridin-2-ylethanol;1-(3,4-dimethoxyphenyl)-2-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)ethanol;2-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-pyridin-2-ylethanol
• PubChem CID: 157297777
• Molecular Formula: C83H93Cl2FN10O6
• Molecular Weight: 1416.62 g/mol
• Exact Mass: 1414.66
• IUPAC Name: 1-(6-chloro-2-methyl-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-pyridin-2-ylethanol;1-(3,4-dimethoxyphenyl)-2-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)ethanol;2-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-pyridin-2-ylethanol
• SMILES: CN1CCc2c(n(CC(C)(O)c3ccc(F)cc3)c3ccc(Cl)cc23)C1.CN1CCc2c(n(CC(O)c3ccccn3)c3ccc(Cl)cc23)C1.COc1ccc(C(O)Cn2c3c(c4cc(C)ccc42)CCN(C)C3)cc1OC.Cc1ccc2c(c1)c1c(n2CC(O)c2ccccn2)CN(C)CC1
• InChI: InChI=1S/C23H28N2O3.C21H22ClFN2O.C20H23N3O.C19H20ClN3O/c1-15-5-7-19-18(11-15)17-9-10-24(2)13-20(17)25(19)14-21(26)16-6-8-22(27-3)23(12-16)28-4;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;1-14-6-7-18-16(11-14)15-8-10-22(2)12-19(15)23(18)13-20(24)17-5-3-4-9-21-17;1-22-9-7-14-15-10-13(20)5-6-17(15)23(18(14)11-22)12-19(24)16-4-2-3-8-21-16/h5-8,11-12,21,26H,9-10,13-14H2,1-4H3;3-8,11,26H,9-10,12-13H2,1-2H3;3-7,9,11,20,24H,8,10,12-13H2,1-2H3;2-6,8,10,19,24H,7,9,11-12H2,1H3
• InChIKey: BBNQZCRSFZAVHA-UHFFFAOYSA-N
• XLogP: 14.50
• TPSA: 157.84 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 14
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1416.62
LogP ≤ 5	14.50
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-2-methyl-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-pyridin-2-ylethanol;1-(3,4-dimethoxyphenyl)-2-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)ethanol;2-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-pyridin-2-ylethanol?

The IUPAC name of 1-(6-chloro-2-methyl-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-pyridin-2-ylethanol;1-(3,4-dimethoxyphenyl)-2-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)ethanol;2-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-pyridin-2-ylethanol (CID 157297777) is 1-(6-chloro-2-methyl-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-pyridin-2-ylethanol;1-(3,4-dimethoxyphenyl)-2-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)ethanol;2-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-pyridin-2-ylethanol.

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

The canonical SMILES for 1-(6-chloro-2-methyl-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-pyridin-2-ylethanol;1-(3,4-dimethoxyphenyl)-2-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)ethanol;2-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-pyridin-2-ylethanol is CN1CCc2c(n(CC(C)(O)c3ccc(F)cc3)c3ccc(Cl)cc23)C1.CN1CCc2c(n(CC(O)c3ccccn3)c3ccc(Cl)cc23)C1.COc1ccc(C(O)Cn2c3c(c4cc(C)ccc42)CCN(C)C3)cc1OC.Cc1ccc2c(c1)c1c(n2CC(O)c2ccccn2)CN(C)CC1.

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

The InChIKey is BBNQZCRSFZAVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3.C21H22ClFN2O.C20H23N3O.C19H20ClN3O/c1-15-5-7-19-18(11-15)17-9-10-24(2)13-20(17)25(19)14-21(26)16-6-8-22(27-3)23(12-16)28-4;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;1-14-6-7-18-16(11-14)15-8-10-22(2)12-19(15)23(18)13-20(24)17-5-3-4-9-21-17;1-22-9-7-14-15-10-13(20)5-6-17(15)23(18(14)11-22)12-19(24)16-4-2-3-8-21-16/h5-8,11-12,21,26H,9-10,13-14H2,1-4H3;3-8,11,26H,9-10,12-13H2,1-2H3;3-7,9,11,20,24H,8,10,12-13H2,1-2H3;2-6,8,10,19,24H,7,9,11-12H2,1H3.

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

1-(6-chloro-2-methyl-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-pyridin-2-ylethanol;1-(3,4-dimethoxyphenyl)-2-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)ethanol;2-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-pyridin-2-ylethanol has a molecular weight of 1416.62 g/mol, XLogP of 14.50, 14 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(6-chloro-2-methyl-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-pyridin-2-ylethanol;1-(3,4-dimethoxyphenyl)-2-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)ethanol;2-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-pyridin-2-ylethanol is sourced from PubChem (CID 157297777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).