2-(7-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-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;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(1-oxidopyridin-1-ium-3-yl)propan-2-ol;2-(4,12-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)-1-pyridin-4-ylethanol;2-(3-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-9-yl)-1-pyridin-4-ylethanol

C98H110Cl2N16O6 — CID 157307038

About 2-(7-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-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;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(1-oxidopyridin-1-ium-3-yl)propan-2-ol;2-(4,12-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)-1-pyridin-4-ylethanol;2-(3-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-9-yl)-1-pyridin-4-ylethanol

2-(7-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-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;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(1-oxidopyridin-1-ium-3-yl)propan-2-ol;2-(4,12-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-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 157307038) has the molecular formula C98H110Cl2N16O6 and a molecular weight of 1678.97 g/mol. Its IUPAC name is 2-(7-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-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;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(1-oxidopyridin-1-ium-3-yl)propan-2-ol;2-(4,12-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-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: 2-(7-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-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;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(1-oxidopyridin-1-ium-3-yl)propan-2-ol;2-(4,12-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-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: 157307038
• Molecular Formula: C98H110Cl2N16O6
• Molecular Weight: 1678.97 g/mol
• Exact Mass: 1676.82
• IUPAC Name: 2-(7-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-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;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(1-oxidopyridin-1-ium-3-yl)propan-2-ol;2-(4,12-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-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(c3ccc(Cl)cc3n2CC(O)c2ccncc2)C1.CN1CCc2c(c3cccc(Cl)c3n2CC(C)(O)c2cccnc2)C1.Cc1ccc2c(c1)c1c(n2CC(C)(O)c2ccc[n+]([O-])c2)CCN(C)C1.Cc1cnc2c(c1)c1c(n2CC(O)c2ccncc2)CCCC1.Cc1cnc2c(c1)c1c(n2CC(O)c2ccncc2)CCN(C)C1
• InChI: InChI=1S/C21H25N3O2.C20H22ClN3O.C19H20ClN3O.C19H22N4O.C19H21N3O/c1-15-6-7-19-17(11-15)18-13-22(3)10-8-20(18)24(19)14-21(2,25)16-5-4-9-23(26)12-16;1-20(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;1-22-9-6-17-16(11-22)15-3-2-14(20)10-18(15)23(17)12-19(24)13-4-7-21-8-5-13;1-13-9-15-16-11-22(2)8-5-17(16)23(19(15)21-10-13)12-18(24)14-3-6-20-7-4-14;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/h4-7,9,11-12,25H,8,10,13-14H2,1-3H3;3-7,9,11,25H,8,10,12-13H2,1-2H3;2-5,7-8,10,19,24H,6,9,11-12H2,1H3;3-4,6-7,9-10,18,24H,5,8,11-12H2,1-2H3;6-11,18,23H,2-5,12H2,1H3
• InChIKey: BCPJDNFCBVRNIR-UHFFFAOYSA-N
• XLogP: 15.29
• TPSA: 243.04 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 21
• Rotatable Bonds: 15
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1678.97
LogP ≤ 5	15.29
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-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;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(1-oxidopyridin-1-ium-3-yl)propan-2-ol;2-(4,12-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-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 2-(7-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-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;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(1-oxidopyridin-1-ium-3-yl)propan-2-ol;2-(4,12-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)-1-pyridin-4-ylethanol;2-(3-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-9-yl)-1-pyridin-4-ylethanol (CID 157307038) is 2-(7-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-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;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(1-oxidopyridin-1-ium-3-yl)propan-2-ol;2-(4,12-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-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 2-(7-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-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;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(1-oxidopyridin-1-ium-3-yl)propan-2-ol;2-(4,12-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-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 2-(7-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-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;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(1-oxidopyridin-1-ium-3-yl)propan-2-ol;2-(4,12-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-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(c3ccc(Cl)cc3n2CC(O)c2ccncc2)C1.CN1CCc2c(c3cccc(Cl)c3n2CC(C)(O)c2cccnc2)C1.Cc1ccc2c(c1)c1c(n2CC(C)(O)c2ccc[n+]([O-])c2)CCN(C)C1.Cc1cnc2c(c1)c1c(n2CC(O)c2ccncc2)CCCC1.Cc1cnc2c(c1)c1c(n2CC(O)c2ccncc2)CCN(C)C1.

What is the InChIKey of 2-(7-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-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;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(1-oxidopyridin-1-ium-3-yl)propan-2-ol;2-(4,12-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-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 BCPJDNFCBVRNIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2.C20H22ClN3O.C19H20ClN3O.C19H22N4O.C19H21N3O/c1-15-6-7-19-17(11-15)18-13-22(3)10-8-20(18)24(19)14-21(2,25)16-5-4-9-23(26)12-16;1-20(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;1-22-9-6-17-16(11-22)15-3-2-14(20)10-18(15)23(17)12-19(24)13-4-7-21-8-5-13;1-13-9-15-16-11-22(2)8-5-17(16)23(19(15)21-10-13)12-18(24)14-3-6-20-7-4-14;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/h4-7,9,11-12,25H,8,10,13-14H2,1-3H3;3-7,9,11,25H,8,10,12-13H2,1-2H3;2-5,7-8,10,19,24H,6,9,11-12H2,1H3;3-4,6-7,9-10,18,24H,5,8,11-12H2,1-2H3;6-11,18,23H,2-5,12H2,1H3.

What are the key properties of 2-(7-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-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;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(1-oxidopyridin-1-ium-3-yl)propan-2-ol;2-(4,12-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)-1-pyridin-4-ylethanol;2-(3-methyl-5,6,7,8-tetrahydropyrido[2,3-b]indol-9-yl)-1-pyridin-4-ylethanol?

2-(7-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-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;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(1-oxidopyridin-1-ium-3-yl)propan-2-ol;2-(4,12-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-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 1678.97 g/mol, XLogP of 15.29, 15 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(7-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-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;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(1-oxidopyridin-1-ium-3-yl)propan-2-ol;2-(4,12-dimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-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 157307038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).