2-[8-(2-aminoethoxy)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-1-pyridin-4-ylethanol;2-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol;2-(4,4-difluoro-2,8-dimethyl-1,3-dihydropyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol;5-(2-hydroxy-2-pyridin-3-ylethyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-4-ol

C80H90ClF2N13O6 — CID 158982563

About 2-[8-(2-aminoethoxy)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-1-pyridin-4-ylethanol;2-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol;2-(4,4-difluoro-2,8-dimethyl-1,3-dihydropyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol;5-(2-hydroxy-2-pyridin-3-ylethyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-4-ol

2-[8-(2-aminoethoxy)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-1-pyridin-4-ylethanol;2-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol;2-(4,4-difluoro-2,8-dimethyl-1,3-dihydropyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol;5-(2-hydroxy-2-pyridin-3-ylethyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-4-ol (PubChem CID 158982563) has the molecular formula C80H90ClF2N13O6 and a molecular weight of 1403.13 g/mol. Its IUPAC name is 2-[8-(2-aminoethoxy)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-1-pyridin-4-ylethanol;2-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol;2-(4,4-difluoro-2,8-dimethyl-1,3-dihydropyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol;5-(2-hydroxy-2-pyridin-3-ylethyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-4-ol.

Molecular Properties

• Compound Name: 2-[8-(2-aminoethoxy)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-1-pyridin-4-ylethanol;2-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol;2-(4,4-difluoro-2,8-dimethyl-1,3-dihydropyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol;5-(2-hydroxy-2-pyridin-3-ylethyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-4-ol
• PubChem CID: 158982563
• Molecular Formula: C80H90ClF2N13O6
• Molecular Weight: 1403.13 g/mol
• Exact Mass: 1401.68
• IUPAC Name: 2-[8-(2-aminoethoxy)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-1-pyridin-4-ylethanol;2-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol;2-(4,4-difluoro-2,8-dimethyl-1,3-dihydropyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol;5-(2-hydroxy-2-pyridin-3-ylethyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-4-ol
• SMILES: CN1CCc2c(c3cc(OCCN)ccc3n2CC(O)c2ccncc2)C1.CN1CCc2c(c3cccc(Cl)c3n2CC(O)c2cccnc2)C1.Cc1ccc2c(c1)c1c(n2CC(O)c2cccnc2)C(F)(F)CN(C)C1.Cc1ccc2c(c1)c1c(n2CC(O)c2cccnc2)C(O)CN(C)C1
• InChI: InChI=1S/C21H26N4O2.C20H21F2N3O.C20H23N3O2.C19H20ClN3O/c1-24-10-6-20-18(13-24)17-12-16(27-11-7-22)2-3-19(17)25(20)14-21(26)15-4-8-23-9-5-15;1-13-5-6-17-15(8-13)16-10-24(2)12-20(21,22)19(16)25(17)11-18(26)14-4-3-7-23-9-14;1-13-5-6-17-15(8-13)16-10-22(2)11-19(25)20(16)23(17)12-18(24)14-4-3-7-21-9-14;1-22-9-7-17-15(11-22)14-5-2-6-16(20)19(14)23(17)12-18(24)13-4-3-8-21-10-13/h2-5,8-9,12,21,26H,6-7,10-11,13-14,22H2,1H3;3-9,18,26H,10-12H2,1-2H3;3-9,18-19,24-25H,10-12H2,1-2H3;2-6,8,10,18,24H,7,9,11-12H2,1H3
• InChIKey: JPENGDGDBCEHEV-UHFFFAOYSA-N
• XLogP: 11.68
• TPSA: 220.64 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 19
• Rotatable Bonds: 15
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1403.13
LogP ≤ 5	11.68
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[8-(2-aminoethoxy)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-1-pyridin-4-ylethanol;2-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol;2-(4,4-difluoro-2,8-dimethyl-1,3-dihydropyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol;5-(2-hydroxy-2-pyridin-3-ylethyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-4-ol?

The IUPAC name of 2-[8-(2-aminoethoxy)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-1-pyridin-4-ylethanol;2-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol;2-(4,4-difluoro-2,8-dimethyl-1,3-dihydropyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol;5-(2-hydroxy-2-pyridin-3-ylethyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-4-ol (CID 158982563) is 2-[8-(2-aminoethoxy)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-1-pyridin-4-ylethanol;2-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol;2-(4,4-difluoro-2,8-dimethyl-1,3-dihydropyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol;5-(2-hydroxy-2-pyridin-3-ylethyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-4-ol.

What is the SMILES notation for 2-[8-(2-aminoethoxy)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-1-pyridin-4-ylethanol;2-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol;2-(4,4-difluoro-2,8-dimethyl-1,3-dihydropyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol;5-(2-hydroxy-2-pyridin-3-ylethyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-4-ol?

The canonical SMILES for 2-[8-(2-aminoethoxy)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-1-pyridin-4-ylethanol;2-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol;2-(4,4-difluoro-2,8-dimethyl-1,3-dihydropyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol;5-(2-hydroxy-2-pyridin-3-ylethyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-4-ol is CN1CCc2c(c3cc(OCCN)ccc3n2CC(O)c2ccncc2)C1.CN1CCc2c(c3cccc(Cl)c3n2CC(O)c2cccnc2)C1.Cc1ccc2c(c1)c1c(n2CC(O)c2cccnc2)C(F)(F)CN(C)C1.Cc1ccc2c(c1)c1c(n2CC(O)c2cccnc2)C(O)CN(C)C1.

What is the InChIKey of 2-[8-(2-aminoethoxy)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-1-pyridin-4-ylethanol;2-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol;2-(4,4-difluoro-2,8-dimethyl-1,3-dihydropyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol;5-(2-hydroxy-2-pyridin-3-ylethyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-4-ol?

The InChIKey is JPENGDGDBCEHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2.C20H21F2N3O.C20H23N3O2.C19H20ClN3O/c1-24-10-6-20-18(13-24)17-12-16(27-11-7-22)2-3-19(17)25(20)14-21(26)15-4-8-23-9-5-15;1-13-5-6-17-15(8-13)16-10-24(2)12-20(21,22)19(16)25(17)11-18(26)14-4-3-7-23-9-14;1-13-5-6-17-15(8-13)16-10-22(2)11-19(25)20(16)23(17)12-18(24)14-4-3-7-21-9-14;1-22-9-7-17-15(11-22)14-5-2-6-16(20)19(14)23(17)12-18(24)13-4-3-8-21-10-13/h2-5,8-9,12,21,26H,6-7,10-11,13-14,22H2,1H3;3-9,18,26H,10-12H2,1-2H3;3-9,18-19,24-25H,10-12H2,1-2H3;2-6,8,10,18,24H,7,9,11-12H2,1H3.

What are the key properties of 2-[8-(2-aminoethoxy)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-1-pyridin-4-ylethanol;2-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol;2-(4,4-difluoro-2,8-dimethyl-1,3-dihydropyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol;5-(2-hydroxy-2-pyridin-3-ylethyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-4-ol?

2-[8-(2-aminoethoxy)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-1-pyridin-4-ylethanol;2-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol;2-(4,4-difluoro-2,8-dimethyl-1,3-dihydropyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol;5-(2-hydroxy-2-pyridin-3-ylethyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-4-ol has a molecular weight of 1403.13 g/mol, XLogP of 11.68, 15 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[8-(2-aminoethoxy)-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-1-pyridin-4-ylethanol;2-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol;2-(4,4-difluoro-2,8-dimethyl-1,3-dihydropyrido[4,3-b]indol-5-yl)-1-pyridin-3-ylethanol;5-(2-hydroxy-2-pyridin-3-ylethyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-4-ol is sourced from PubChem (CID 158982563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).