6,9-dichloro-2-methyl-5-(2-pyridin-3-ylpropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;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

C85H96Cl2N14O4 — CID 159369498

About 6,9-dichloro-2-methyl-5-(2-pyridin-3-ylpropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;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

6,9-dichloro-2-methyl-5-(2-pyridin-3-ylpropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;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 159369498) has the molecular formula C85H96Cl2N14O4 and a molecular weight of 1448.70 g/mol. Its IUPAC name is 6,9-dichloro-2-methyl-5-(2-pyridin-3-ylpropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;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: 6,9-dichloro-2-methyl-5-(2-pyridin-3-ylpropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;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: 159369498
• Molecular Formula: C85H96Cl2N14O4
• Molecular Weight: 1448.70 g/mol
• Exact Mass: 1446.71
• IUPAC Name: 6,9-dichloro-2-methyl-5-(2-pyridin-3-ylpropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;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: CC(Cn1c2c(c3c(Cl)ccc(Cl)c31)CN(C)CC2)c1cccnc1.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.C20H21Cl2N3.C20H24N4O/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;1-13(14-4-3-8-23-10-14)11-25-18-7-9-24(2)12-15(18)19-16(21)5-6-17(22)20(19)25;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/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);3-6,8,10,13H,7,9,11-12H2,1-2H3;4-6,8,10-11,25H,7,9,12-13H2,1-3H3
• InChIKey: LJOINWVVIHWYTF-UHFFFAOYSA-N
• XLogP: 14.09
• TPSA: 190.68 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 17
• Rotatable Bonds: 12
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1448.70
LogP ≤ 5	14.09
H-Bond Donors ≤ 5	4
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 6,9-dichloro-2-methyl-5-(2-pyridin-3-ylpropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;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 6,9-dichloro-2-methyl-5-(2-pyridin-3-ylpropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;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 159369498) is 6,9-dichloro-2-methyl-5-(2-pyridin-3-ylpropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;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 6,9-dichloro-2-methyl-5-(2-pyridin-3-ylpropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;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 6,9-dichloro-2-methyl-5-(2-pyridin-3-ylpropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;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 CC(Cn1c2c(c3c(Cl)ccc(Cl)c31)CN(C)CC2)c1cccnc1.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 6,9-dichloro-2-methyl-5-(2-pyridin-3-ylpropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;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 LJOINWVVIHWYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O.C21H25N3O2.C20H21Cl2N3.C20H24N4O/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;1-13(14-4-3-8-23-10-14)11-25-18-7-9-24(2)12-15(18)19-16(21)5-6-17(22)20(19)25;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/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);3-6,8,10,13H,7,9,11-12H2,1-2H3;4-6,8,10-11,25H,7,9,12-13H2,1-3H3.

What are the key properties of 6,9-dichloro-2-methyl-5-(2-pyridin-3-ylpropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;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?

6,9-dichloro-2-methyl-5-(2-pyridin-3-ylpropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;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 1448.70 g/mol, XLogP of 14.09, 12 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 6,9-dichloro-2-methyl-5-(2-pyridin-3-ylpropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;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 159369498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).