2-(6,9-dichloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol;4-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]-1H-pyridin-2-one;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(1,8-naphthyridin-3-yl)propan-2-ol;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridazin-4-ylpropan-2-ol

C84H94Cl2N14O5 — CID 159411655

About 2-(6,9-dichloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol;4-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]-1H-pyridin-2-one;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(1,8-naphthyridin-3-yl)propan-2-ol;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridazin-4-ylpropan-2-ol

2-(6,9-dichloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol;4-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]-1H-pyridin-2-one;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(1,8-naphthyridin-3-yl)propan-2-ol;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridazin-4-ylpropan-2-ol (PubChem CID 159411655) has the molecular formula C84H94Cl2N14O5 and a molecular weight of 1450.67 g/mol. Its IUPAC name is 2-(6,9-dichloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol;4-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]-1H-pyridin-2-one;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(1,8-naphthyridin-3-yl)propan-2-ol;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridazin-4-ylpropan-2-ol.

Molecular Properties

• Compound Name: 2-(6,9-dichloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol;4-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]-1H-pyridin-2-one;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(1,8-naphthyridin-3-yl)propan-2-ol;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridazin-4-ylpropan-2-ol
• PubChem CID: 159411655
• Molecular Formula: C84H94Cl2N14O5
• Molecular Weight: 1450.67 g/mol
• Exact Mass: 1448.69
• IUPAC Name: 2-(6,9-dichloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol;4-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]-1H-pyridin-2-one;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(1,8-naphthyridin-3-yl)propan-2-ol;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridazin-4-ylpropan-2-ol
• SMILES: CN1CCc2c(c3c(Cl)ccc(Cl)c3n2CC(O)c2cccnc2)C1.Cc1ccc2c(c1)c1c(n2CC(C)(O)c2cc[nH]c(=O)c2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CC(C)(O)c2ccnnc2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CC(C)(O)c2cnc3ncccc3c2)CCN(C)C1
• InChI: InChI=1S/C24H26N4O.C21H25N3O2.C20H24N4O.C19H19Cl2N3O/c1-16-6-7-21-19(11-16)20-14-27(3)10-8-22(20)28(21)15-24(2,29)18-12-17-5-4-9-25-23(17)26-13-18;1-14-4-5-18-16(10-14)17-12-23(3)9-7-19(17)24(18)13-21(2,26)15-6-8-22-20(25)11-15;1-14-4-5-18-16(10-14)17-12-23(3)9-7-19(17)24(18)13-20(2,25)15-6-8-21-22-11-15;1-23-8-6-16-13(10-23)18-14(20)4-5-15(21)19(18)24(16)11-17(25)12-3-2-7-22-9-12/h4-7,9,11-13,29H,8,10,14-15H2,1-3H3;4-6,8,10-11,26H,7,9,12-13H2,1-3H3,(H,22,25);4-6,8,10-11,25H,7,9,12-13H2,1-3H3;2-5,7,9,17,25H,6,8,10-11H2,1H3
• InChIKey: LOQNYWALNWQLDZ-UHFFFAOYSA-N
• XLogP: 13.02
• TPSA: 210.91 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 18
• Rotatable Bonds: 12
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1450.67
LogP ≤ 5	13.02
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(6,9-dichloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol;4-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]-1H-pyridin-2-one;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(1,8-naphthyridin-3-yl)propan-2-ol;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridazin-4-ylpropan-2-ol?

The IUPAC name of 2-(6,9-dichloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol;4-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]-1H-pyridin-2-one;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(1,8-naphthyridin-3-yl)propan-2-ol;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridazin-4-ylpropan-2-ol (CID 159411655) is 2-(6,9-dichloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol;4-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]-1H-pyridin-2-one;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(1,8-naphthyridin-3-yl)propan-2-ol;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridazin-4-ylpropan-2-ol.

What is the SMILES notation for 2-(6,9-dichloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol;4-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]-1H-pyridin-2-one;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(1,8-naphthyridin-3-yl)propan-2-ol;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridazin-4-ylpropan-2-ol?

The canonical SMILES for 2-(6,9-dichloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol;4-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]-1H-pyridin-2-one;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(1,8-naphthyridin-3-yl)propan-2-ol;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridazin-4-ylpropan-2-ol is CN1CCc2c(c3c(Cl)ccc(Cl)c3n2CC(O)c2cccnc2)C1.Cc1ccc2c(c1)c1c(n2CC(C)(O)c2cc[nH]c(=O)c2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CC(C)(O)c2ccnnc2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CC(C)(O)c2cnc3ncccc3c2)CCN(C)C1.

What is the InChIKey of 2-(6,9-dichloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol;4-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]-1H-pyridin-2-one;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(1,8-naphthyridin-3-yl)propan-2-ol;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridazin-4-ylpropan-2-ol?

The InChIKey is LOQNYWALNWQLDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O.C21H25N3O2.C20H24N4O.C19H19Cl2N3O/c1-16-6-7-21-19(11-16)20-14-27(3)10-8-22(20)28(21)15-24(2,29)18-12-17-5-4-9-25-23(17)26-13-18;1-14-4-5-18-16(10-14)17-12-23(3)9-7-19(17)24(18)13-21(2,26)15-6-8-22-20(25)11-15;1-14-4-5-18-16(10-14)17-12-23(3)9-7-19(17)24(18)13-20(2,25)15-6-8-21-22-11-15;1-23-8-6-16-13(10-23)18-14(20)4-5-15(21)19(18)24(16)11-17(25)12-3-2-7-22-9-12/h4-7,9,11-13,29H,8,10,14-15H2,1-3H3;4-6,8,10-11,26H,7,9,12-13H2,1-3H3,(H,22,25);4-6,8,10-11,25H,7,9,12-13H2,1-3H3;2-5,7,9,17,25H,6,8,10-11H2,1H3.

What are the key properties of 2-(6,9-dichloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol;4-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]-1H-pyridin-2-one;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(1,8-naphthyridin-3-yl)propan-2-ol;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridazin-4-ylpropan-2-ol?

2-(6,9-dichloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol;4-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]-1H-pyridin-2-one;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(1,8-naphthyridin-3-yl)propan-2-ol;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridazin-4-ylpropan-2-ol has a molecular weight of 1450.67 g/mol, XLogP of 13.02, 12 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6,9-dichloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol;4-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]-1H-pyridin-2-one;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(1,8-naphthyridin-3-yl)propan-2-ol;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridazin-4-ylpropan-2-ol is sourced from PubChem (CID 159411655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).