1-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-2-pyridin-3-ylpropan-2-ol;2-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(4-methoxyphenyl)ethanol;1-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-2-pyridin-4-ylpropan-2-ol;1-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)-2-pyridin-3-ylpropan-2-ol

C84H97ClN10O5 — CID 159263076

About 1-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-2-pyridin-3-ylpropan-2-ol;2-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(4-methoxyphenyl)ethanol;1-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-2-pyridin-4-ylpropan-2-ol;1-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)-2-pyridin-3-ylpropan-2-ol

1-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-2-pyridin-3-ylpropan-2-ol;2-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(4-methoxyphenyl)ethanol;1-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-2-pyridin-4-ylpropan-2-ol;1-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)-2-pyridin-3-ylpropan-2-ol (PubChem CID 159263076) has the molecular formula C84H97ClN10O5 and a molecular weight of 1362.22 g/mol. Its IUPAC name is 1-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-2-pyridin-3-ylpropan-2-ol;2-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(4-methoxyphenyl)ethanol;1-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-2-pyridin-4-ylpropan-2-ol;1-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)-2-pyridin-3-ylpropan-2-ol.

Molecular Properties

• Compound Name: 1-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-2-pyridin-3-ylpropan-2-ol;2-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(4-methoxyphenyl)ethanol;1-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-2-pyridin-4-ylpropan-2-ol;1-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)-2-pyridin-3-ylpropan-2-ol
• PubChem CID: 159263076
• Molecular Formula: C84H97ClN10O5
• Molecular Weight: 1362.22 g/mol
• Exact Mass: 1360.73
• IUPAC Name: 1-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-2-pyridin-3-ylpropan-2-ol;2-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(4-methoxyphenyl)ethanol;1-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-2-pyridin-4-ylpropan-2-ol;1-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)-2-pyridin-3-ylpropan-2-ol
• SMILES: CN1CCc2c(n(CC(C)(O)c3cccnc3)c3ccc(Cl)cc23)C1.COc1ccc(C(O)Cn2c3c(c4cc(C)ccc42)CCN(C)C3)cc1.Cc1ccc2c(c1)c1c(n2CC(C)(O)c2cccnc2)CCCC1.Cc1ccc2c(c1)c1c(n2CC(C)(O)c2ccncc2)CN(C)CC1
• InChI: InChI=1S/C22H26N2O2.C21H25N3O.C21H24N2O.C20H22ClN3O/c1-15-4-9-20-19(12-15)18-10-11-23(2)13-21(18)24(20)14-22(25)16-5-7-17(26-3)8-6-16;1-15-4-5-19-18(12-15)17-8-11-23(3)13-20(17)24(19)14-21(2,25)16-6-9-22-10-7-16;1-15-9-10-20-18(12-15)17-7-3-4-8-19(17)23(20)14-21(2,24)16-6-5-11-22-13-16;1-20(25,14-4-3-8-22-11-14)13-24-18-6-5-15(21)10-17(18)16-7-9-23(2)12-19(16)24/h4-9,12,22,25H,10-11,13-14H2,1-3H3;4-7,9-10,12,25H,8,11,13-14H2,1-3H3;5-6,9-13,24H,3-4,7-8,14H2,1-2H3;3-6,8,10-11,25H,7,9,12-13H2,1-2H3
• InChIKey: KWTGZNXORCSFIV-UHFFFAOYSA-N
• XLogP: 14.64
• TPSA: 158.26 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 13
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1362.22
LogP ≤ 5	14.64
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-2-pyridin-3-ylpropan-2-ol;2-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(4-methoxyphenyl)ethanol;1-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-2-pyridin-4-ylpropan-2-ol;1-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)-2-pyridin-3-ylpropan-2-ol?

The IUPAC name of 1-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-2-pyridin-3-ylpropan-2-ol;2-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(4-methoxyphenyl)ethanol;1-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-2-pyridin-4-ylpropan-2-ol;1-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)-2-pyridin-3-ylpropan-2-ol (CID 159263076) is 1-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-2-pyridin-3-ylpropan-2-ol;2-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(4-methoxyphenyl)ethanol;1-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-2-pyridin-4-ylpropan-2-ol;1-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)-2-pyridin-3-ylpropan-2-ol.

What is the SMILES notation for 1-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-2-pyridin-3-ylpropan-2-ol;2-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(4-methoxyphenyl)ethanol;1-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-2-pyridin-4-ylpropan-2-ol;1-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)-2-pyridin-3-ylpropan-2-ol?

The canonical SMILES for 1-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-2-pyridin-3-ylpropan-2-ol;2-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(4-methoxyphenyl)ethanol;1-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-2-pyridin-4-ylpropan-2-ol;1-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)-2-pyridin-3-ylpropan-2-ol is CN1CCc2c(n(CC(C)(O)c3cccnc3)c3ccc(Cl)cc23)C1.COc1ccc(C(O)Cn2c3c(c4cc(C)ccc42)CCN(C)C3)cc1.Cc1ccc2c(c1)c1c(n2CC(C)(O)c2cccnc2)CCCC1.Cc1ccc2c(c1)c1c(n2CC(C)(O)c2ccncc2)CN(C)CC1.

What is the InChIKey of 1-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-2-pyridin-3-ylpropan-2-ol;2-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(4-methoxyphenyl)ethanol;1-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-2-pyridin-4-ylpropan-2-ol;1-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)-2-pyridin-3-ylpropan-2-ol?

The InChIKey is KWTGZNXORCSFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2.C21H25N3O.C21H24N2O.C20H22ClN3O/c1-15-4-9-20-19(12-15)18-10-11-23(2)13-21(18)24(20)14-22(25)16-5-7-17(26-3)8-6-16;1-15-4-5-19-18(12-15)17-8-11-23(3)13-20(17)24(19)14-21(2,25)16-6-9-22-10-7-16;1-15-9-10-20-18(12-15)17-7-3-4-8-19(17)23(20)14-21(2,24)16-6-5-11-22-13-16;1-20(25,14-4-3-8-22-11-14)13-24-18-6-5-15(21)10-17(18)16-7-9-23(2)12-19(16)24/h4-9,12,22,25H,10-11,13-14H2,1-3H3;4-7,9-10,12,25H,8,11,13-14H2,1-3H3;5-6,9-13,24H,3-4,7-8,14H2,1-2H3;3-6,8,10-11,25H,7,9,12-13H2,1-2H3.

What are the key properties of 1-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-2-pyridin-3-ylpropan-2-ol;2-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(4-methoxyphenyl)ethanol;1-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-2-pyridin-4-ylpropan-2-ol;1-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)-2-pyridin-3-ylpropan-2-ol?

1-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-2-pyridin-3-ylpropan-2-ol;2-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(4-methoxyphenyl)ethanol;1-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-2-pyridin-4-ylpropan-2-ol;1-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)-2-pyridin-3-ylpropan-2-ol has a molecular weight of 1362.22 g/mol, XLogP of 14.64, 13 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(6-chloro-2-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-2-pyridin-3-ylpropan-2-ol;2-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-1-(4-methoxyphenyl)ethanol;1-(2,6-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-9-yl)-2-pyridin-4-ylpropan-2-ol;1-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)-2-pyridin-3-ylpropan-2-ol is sourced from PubChem (CID 159263076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).