1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(4-chloro-2-methylphenyl)propan-2-ol;1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-3,3-difluoro-2-(4-fluorophenyl)butan-2-ol;1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(4-fluorophenyl)butan-2-ol

C66H70Cl4F4N6O3 — CID 160745693

About 1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(4-chloro-2-methylphenyl)propan-2-ol;1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-3,3-difluoro-2-(4-fluorophenyl)butan-2-ol;1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(4-fluorophenyl)butan-2-ol

1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(4-chloro-2-methylphenyl)propan-2-ol;1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-3,3-difluoro-2-(4-fluorophenyl)butan-2-ol;1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(4-fluorophenyl)butan-2-ol (PubChem CID 160745693) has the molecular formula C66H70Cl4F4N6O3 and a molecular weight of 1213.13 g/mol. Its IUPAC name is 1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(4-chloro-2-methylphenyl)propan-2-ol;1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-3,3-difluoro-2-(4-fluorophenyl)butan-2-ol;1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(4-fluorophenyl)butan-2-ol.

Molecular Properties

• Compound Name: 1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(4-chloro-2-methylphenyl)propan-2-ol;1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-3,3-difluoro-2-(4-fluorophenyl)butan-2-ol;1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(4-fluorophenyl)butan-2-ol
• PubChem CID: 160745693
• Molecular Formula: C66H70Cl4F4N6O3
• Molecular Weight: 1213.13 g/mol
• Exact Mass: 1210.42
• IUPAC Name: 1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(4-chloro-2-methylphenyl)propan-2-ol;1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-3,3-difluoro-2-(4-fluorophenyl)butan-2-ol;1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(4-fluorophenyl)butan-2-ol
• SMILES: CCC(O)(Cn1c2c(c3cc(Cl)ccc31)CN(C)CC2)c1ccc(F)cc1.CN1CCc2c(c3cc(Cl)ccc3n2CC(O)(c2ccc(F)cc2)C(C)(F)F)C1.Cc1cc(Cl)ccc1C(C)(O)Cn1c2c(c3cc(Cl)ccc31)CN(C)CC2
• InChI: InChI=1S/C22H24Cl2N2O.C22H22ClF3N2O.C22H24ClFN2O/c1-14-10-15(23)4-6-19(14)22(2,27)13-26-20-7-5-16(24)11-17(20)18-12-25(3)9-8-21(18)26;1-21(25,26)22(29,14-3-6-16(24)7-4-14)13-28-19-8-5-15(23)11-17(19)18-12-27(2)10-9-20(18)28;1-3-22(27,15-4-7-17(24)8-5-15)14-26-20-9-6-16(23)12-18(20)19-13-25(2)11-10-21(19)26/h4-7,10-11,27H,8-9,12-13H2,1-3H3;3-8,11,29H,9-10,12-13H2,1-2H3;4-9,12,27H,3,10-11,13-14H2,1-2H3
• InChIKey: RWDXWTKVRUSNDZ-UHFFFAOYSA-N
• XLogP: 14.84
• TPSA: 85.20 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1213.13
LogP ≤ 5	14.84
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(4-chloro-2-methylphenyl)propan-2-ol;1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-3,3-difluoro-2-(4-fluorophenyl)butan-2-ol;1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(4-fluorophenyl)butan-2-ol?

The IUPAC name of 1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(4-chloro-2-methylphenyl)propan-2-ol;1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-3,3-difluoro-2-(4-fluorophenyl)butan-2-ol;1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(4-fluorophenyl)butan-2-ol (CID 160745693) is 1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(4-chloro-2-methylphenyl)propan-2-ol;1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-3,3-difluoro-2-(4-fluorophenyl)butan-2-ol;1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(4-fluorophenyl)butan-2-ol.

What is the SMILES notation for 1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(4-chloro-2-methylphenyl)propan-2-ol;1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-3,3-difluoro-2-(4-fluorophenyl)butan-2-ol;1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(4-fluorophenyl)butan-2-ol?

The canonical SMILES for 1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(4-chloro-2-methylphenyl)propan-2-ol;1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-3,3-difluoro-2-(4-fluorophenyl)butan-2-ol;1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(4-fluorophenyl)butan-2-ol is CCC(O)(Cn1c2c(c3cc(Cl)ccc31)CN(C)CC2)c1ccc(F)cc1.CN1CCc2c(c3cc(Cl)ccc3n2CC(O)(c2ccc(F)cc2)C(C)(F)F)C1.Cc1cc(Cl)ccc1C(C)(O)Cn1c2c(c3cc(Cl)ccc31)CN(C)CC2.

What is the InChIKey of 1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(4-chloro-2-methylphenyl)propan-2-ol;1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-3,3-difluoro-2-(4-fluorophenyl)butan-2-ol;1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(4-fluorophenyl)butan-2-ol?

The InChIKey is RWDXWTKVRUSNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24Cl2N2O.C22H22ClF3N2O.C22H24ClFN2O/c1-14-10-15(23)4-6-19(14)22(2,27)13-26-20-7-5-16(24)11-17(20)18-12-25(3)9-8-21(18)26;1-21(25,26)22(29,14-3-6-16(24)7-4-14)13-28-19-8-5-15(23)11-17(19)18-12-27(2)10-9-20(18)28;1-3-22(27,15-4-7-17(24)8-5-15)14-26-20-9-6-16(23)12-18(20)19-13-25(2)11-10-21(19)26/h4-7,10-11,27H,8-9,12-13H2,1-3H3;3-8,11,29H,9-10,12-13H2,1-2H3;4-9,12,27H,3,10-11,13-14H2,1-2H3.

What are the key properties of 1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(4-chloro-2-methylphenyl)propan-2-ol;1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-3,3-difluoro-2-(4-fluorophenyl)butan-2-ol;1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(4-fluorophenyl)butan-2-ol?

1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(4-chloro-2-methylphenyl)propan-2-ol;1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-3,3-difluoro-2-(4-fluorophenyl)butan-2-ol;1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(4-fluorophenyl)butan-2-ol has a molecular weight of 1213.13 g/mol, XLogP of 14.84, 11 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(4-chloro-2-methylphenyl)propan-2-ol;1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-3,3-difluoro-2-(4-fluorophenyl)butan-2-ol;1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(4-fluorophenyl)butan-2-ol is sourced from PubChem (CID 160745693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).