1-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol;2-(2-hydroxy-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-ium-5-yl)-1-pyridin-4-ylethanol;2-(3-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-9-yl)-1-pyridin-4-ylethanol

C79H90ClN12O5+ — CID 162195208

About 1-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol;2-(2-hydroxy-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-ium-5-yl)-1-pyridin-4-ylethanol;2-(3-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-9-yl)-1-pyridin-4-ylethanol

1-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol;2-(2-hydroxy-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-ium-5-yl)-1-pyridin-4-ylethanol;2-(3-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-9-yl)-1-pyridin-4-ylethanol (PubChem CID 162195208) has the molecular formula C79H90ClN12O5+ and a molecular weight of 1323.12 g/mol. Its IUPAC name is 1-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol;2-(2-hydroxy-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-ium-5-yl)-1-pyridin-4-ylethanol;2-(3-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-9-yl)-1-pyridin-4-ylethanol.

Molecular Properties

• Compound Name: 1-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol;2-(2-hydroxy-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-ium-5-yl)-1-pyridin-4-ylethanol;2-(3-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-9-yl)-1-pyridin-4-ylethanol
• PubChem CID: 162195208
• Molecular Formula: C79H90ClN12O5+
• Molecular Weight: 1323.12 g/mol
• Exact Mass: 1321.68
• IUPAC Name: 1-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol;2-(2-hydroxy-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-ium-5-yl)-1-pyridin-4-ylethanol;2-(3-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-9-yl)-1-pyridin-4-ylethanol
• SMILES: CN1CCc2c(c3cccc(Cl)c3n2CC(C)(O)c2cccnc2)C1.Cc1ccc2c(c1)c1c(n2CC(O)c2cccnc2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CC(O)c2ccncc2)CC[N+](C)(O)C1.Cc1cnc2c(c1)c1c(n2CC(O)c2ccncc2)CCCC1
• InChI: InChI=1S/C20H22ClN3O.C20H24N3O2.C20H23N3O.C19H21N3O/c1-20(25,14-5-4-9-22-11-14)13-24-18-8-10-23(2)12-16(18)15-6-3-7-17(21)19(15)24;1-14-3-4-18-16(11-14)17-13-23(2,25)10-7-19(17)22(18)12-20(24)15-5-8-21-9-6-15;1-14-5-6-18-16(10-14)17-12-22(2)9-7-19(17)23(18)13-20(24)15-4-3-8-21-11-15;1-13-10-16-15-4-2-3-5-17(15)22(19(16)21-11-13)12-18(23)14-6-8-20-9-7-14/h3-7,9,11,25H,8,10,12-13H2,1-2H3;3-6,8-9,11,20,24-25H,7,10,12-13H2,1-2H3;3-6,8,10-11,20,24H,7,9,12-13H2,1-2H3;6-11,18,23H,2-5,12H2,1H3/q;+1
• InChIKey: ZQVQQKAUNWYCQP-UHFFFAOYSA-N
• XLogP: 12.97
• TPSA: 191.80 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 16
• Rotatable Bonds: 12
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1323.12
LogP ≤ 5	12.97
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol;2-(2-hydroxy-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-ium-5-yl)-1-pyridin-4-ylethanol;2-(3-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-9-yl)-1-pyridin-4-ylethanol?

The IUPAC name of 1-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol;2-(2-hydroxy-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-ium-5-yl)-1-pyridin-4-ylethanol;2-(3-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-9-yl)-1-pyridin-4-ylethanol (CID 162195208) is 1-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol;2-(2-hydroxy-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-ium-5-yl)-1-pyridin-4-ylethanol;2-(3-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-9-yl)-1-pyridin-4-ylethanol.

What is the SMILES notation for 1-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol;2-(2-hydroxy-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-ium-5-yl)-1-pyridin-4-ylethanol;2-(3-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-9-yl)-1-pyridin-4-ylethanol?

The canonical SMILES for 1-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol;2-(2-hydroxy-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-ium-5-yl)-1-pyridin-4-ylethanol;2-(3-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-9-yl)-1-pyridin-4-ylethanol is CN1CCc2c(c3cccc(Cl)c3n2CC(C)(O)c2cccnc2)C1.Cc1ccc2c(c1)c1c(n2CC(O)c2cccnc2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CC(O)c2ccncc2)CC[N+](C)(O)C1.Cc1cnc2c(c1)c1c(n2CC(O)c2ccncc2)CCCC1.

What is the InChIKey of 1-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol;2-(2-hydroxy-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-ium-5-yl)-1-pyridin-4-ylethanol;2-(3-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-9-yl)-1-pyridin-4-ylethanol?

The InChIKey is ZQVQQKAUNWYCQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O.C20H24N3O2.C20H23N3O.C19H21N3O/c1-20(25,14-5-4-9-22-11-14)13-24-18-8-10-23(2)12-16(18)15-6-3-7-17(21)19(15)24;1-14-3-4-18-16(11-14)17-13-23(2,25)10-7-19(17)22(18)12-20(24)15-5-8-21-9-6-15;1-14-5-6-18-16(10-14)17-12-22(2)9-7-19(17)23(18)13-20(24)15-4-3-8-21-11-15;1-13-10-16-15-4-2-3-5-17(15)22(19(16)21-11-13)12-18(23)14-6-8-20-9-7-14/h3-7,9,11,25H,8,10,12-13H2,1-2H3;3-6,8-9,11,20,24-25H,7,10,12-13H2,1-2H3;3-6,8,10-11,20,24H,7,9,12-13H2,1-2H3;6-11,18,23H,2-5,12H2,1H3/q;+1;;.

What are the key properties of 1-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol;2-(2-hydroxy-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-ium-5-yl)-1-pyridin-4-ylethanol;2-(3-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-9-yl)-1-pyridin-4-ylethanol?

1-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol;2-(2-hydroxy-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-ium-5-yl)-1-pyridin-4-ylethanol;2-(3-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-9-yl)-1-pyridin-4-ylethanol has a molecular weight of 1323.12 g/mol, XLogP of 12.97, 12 rotatable bonds, 5 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[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol;2-(2-hydroxy-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-ium-5-yl)-1-pyridin-4-ylethanol;2-(3-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-9-yl)-1-pyridin-4-ylethanol is sourced from PubChem (CID 162195208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).