2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(3-fluoro-4-methoxyphenyl)ethanol;2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(5-methyl-3-pyridinyl)ethanol;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(5-methyl-3-pyridinyl)ethanol;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-phenylpropan-2-ol

C84H95Cl2FN10O5 — CID 158727323

About 2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(3-fluoro-4-methoxyphenyl)ethanol;2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(5-methyl-3-pyridinyl)ethanol;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(5-methyl-3-pyridinyl)ethanol;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-phenylpropan-2-ol

2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(3-fluoro-4-methoxyphenyl)ethanol;2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(5-methyl-3-pyridinyl)ethanol;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(5-methyl-3-pyridinyl)ethanol;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-phenylpropan-2-ol (PubChem CID 158727323) has the molecular formula C84H95Cl2FN10O5 and a molecular weight of 1414.65 g/mol. Its IUPAC name is 2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(3-fluoro-4-methoxyphenyl)ethanol;2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(5-methyl-3-pyridinyl)ethanol;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(5-methyl-3-pyridinyl)ethanol;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-phenylpropan-2-ol.

Molecular Properties

• Compound Name: 2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(3-fluoro-4-methoxyphenyl)ethanol;2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(5-methyl-3-pyridinyl)ethanol;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(5-methyl-3-pyridinyl)ethanol;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-phenylpropan-2-ol
• PubChem CID: 158727323
• Molecular Formula: C84H95Cl2FN10O5
• Molecular Weight: 1414.65 g/mol
• Exact Mass: 1412.68
• IUPAC Name: 2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(3-fluoro-4-methoxyphenyl)ethanol;2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(5-methyl-3-pyridinyl)ethanol;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(5-methyl-3-pyridinyl)ethanol;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-phenylpropan-2-ol
• SMILES: COc1ccc(C(O)Cn2c3c(c4cc(Cl)ccc42)CN(C)CC3)cc1F.Cc1ccc2c(c1)c1c(n2CC(C)(O)c2ccccc2)CCN(C)C1.Cc1cncc(C(O)Cn2c3c(c4cc(C)ccc42)CN(C)CC3)c1.Cc1cncc(C(O)Cn2c3c(c4cc(Cl)ccc42)CN(C)CC3)c1
• InChI: InChI=1S/C22H26N2O.C21H22ClFN2O2.C21H25N3O.C20H22ClN3O/c1-16-9-10-20-18(13-16)19-14-23(3)12-11-21(19)24(20)15-22(2,25)17-7-5-4-6-8-17;1-24-8-7-19-16(11-24)15-10-14(22)4-5-18(15)25(19)12-20(26)13-3-6-21(27-2)17(23)9-13;1-14-4-5-19-17(9-14)18-12-23(3)7-6-20(18)24(19)13-21(25)16-8-15(2)10-22-11-16;1-13-7-14(10-22-9-13)20(25)12-24-18-4-3-15(21)8-16(18)17-11-23(2)6-5-19(17)24/h4-10,13,25H,11-12,14-15H2,1-3H3;3-6,9-10,20,26H,7-8,11-12H2,1-2H3;4-5,8-11,21,25H,6-7,12-13H2,1-3H3;3-4,7-10,20,25H,5-6,11-12H2,1-2H3
• InChIKey: IKRAZMJHJKLILQ-UHFFFAOYSA-N
• XLogP: 15.10
• TPSA: 148.61 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 13
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1414.65
LogP ≤ 5	15.10
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 2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(3-fluoro-4-methoxyphenyl)ethanol;2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(5-methyl-3-pyridinyl)ethanol;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(5-methyl-3-pyridinyl)ethanol;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-phenylpropan-2-ol?

The IUPAC name of 2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(3-fluoro-4-methoxyphenyl)ethanol;2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(5-methyl-3-pyridinyl)ethanol;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(5-methyl-3-pyridinyl)ethanol;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-phenylpropan-2-ol (CID 158727323) is 2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(3-fluoro-4-methoxyphenyl)ethanol;2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(5-methyl-3-pyridinyl)ethanol;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(5-methyl-3-pyridinyl)ethanol;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-phenylpropan-2-ol.

What is the SMILES notation for 2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(3-fluoro-4-methoxyphenyl)ethanol;2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(5-methyl-3-pyridinyl)ethanol;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(5-methyl-3-pyridinyl)ethanol;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-phenylpropan-2-ol?

The canonical SMILES for 2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(3-fluoro-4-methoxyphenyl)ethanol;2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(5-methyl-3-pyridinyl)ethanol;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(5-methyl-3-pyridinyl)ethanol;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-phenylpropan-2-ol is COc1ccc(C(O)Cn2c3c(c4cc(Cl)ccc42)CN(C)CC3)cc1F.Cc1ccc2c(c1)c1c(n2CC(C)(O)c2ccccc2)CCN(C)C1.Cc1cncc(C(O)Cn2c3c(c4cc(C)ccc42)CN(C)CC3)c1.Cc1cncc(C(O)Cn2c3c(c4cc(Cl)ccc42)CN(C)CC3)c1.

What is the InChIKey of 2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(3-fluoro-4-methoxyphenyl)ethanol;2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(5-methyl-3-pyridinyl)ethanol;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(5-methyl-3-pyridinyl)ethanol;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-phenylpropan-2-ol?

The InChIKey is IKRAZMJHJKLILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O.C21H22ClFN2O2.C21H25N3O.C20H22ClN3O/c1-16-9-10-20-18(13-16)19-14-23(3)12-11-21(19)24(20)15-22(2,25)17-7-5-4-6-8-17;1-24-8-7-19-16(11-24)15-10-14(22)4-5-18(15)25(19)12-20(26)13-3-6-21(27-2)17(23)9-13;1-14-4-5-19-17(9-14)18-12-23(3)7-6-20(18)24(19)13-21(25)16-8-15(2)10-22-11-16;1-13-7-14(10-22-9-13)20(25)12-24-18-4-3-15(21)8-16(18)17-11-23(2)6-5-19(17)24/h4-10,13,25H,11-12,14-15H2,1-3H3;3-6,9-10,20,26H,7-8,11-12H2,1-2H3;4-5,8-11,21,25H,6-7,12-13H2,1-3H3;3-4,7-10,20,25H,5-6,11-12H2,1-2H3.

What are the key properties of 2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(3-fluoro-4-methoxyphenyl)ethanol;2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(5-methyl-3-pyridinyl)ethanol;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(5-methyl-3-pyridinyl)ethanol;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-phenylpropan-2-ol?

2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(3-fluoro-4-methoxyphenyl)ethanol;2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(5-methyl-3-pyridinyl)ethanol;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(5-methyl-3-pyridinyl)ethanol;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-phenylpropan-2-ol has a molecular weight of 1414.65 g/mol, XLogP of 15.10, 13 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(3-fluoro-4-methoxyphenyl)ethanol;2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(5-methyl-3-pyridinyl)ethanol;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-(5-methyl-3-pyridinyl)ethanol;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-phenylpropan-2-ol is sourced from PubChem (CID 158727323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).