8-chloro-5-[2-cyclopropyl-2-(4-fluorophenyl)propyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;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)propan-2-ol;1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(6-methyl-3-pyridinyl)propan-2-ol

C88H94Cl4F5N9O3 — CID 158526458

About 8-chloro-5-[2-cyclopropyl-2-(4-fluorophenyl)propyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;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)propan-2-ol;1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(6-methyl-3-pyridinyl)propan-2-ol

8-chloro-5-[2-cyclopropyl-2-(4-fluorophenyl)propyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;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)propan-2-ol;1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(6-methyl-3-pyridinyl)propan-2-ol (PubChem CID 158526458) has the molecular formula C88H94Cl4F5N9O3 and a molecular weight of 1562.58 g/mol. Its IUPAC name is 8-chloro-5-[2-cyclopropyl-2-(4-fluorophenyl)propyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;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)propan-2-ol;1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(6-methyl-3-pyridinyl)propan-2-ol.

Molecular Properties

• Compound Name: 8-chloro-5-[2-cyclopropyl-2-(4-fluorophenyl)propyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;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)propan-2-ol;1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(6-methyl-3-pyridinyl)propan-2-ol
• PubChem CID: 158526458
• Molecular Formula: C88H94Cl4F5N9O3
• Molecular Weight: 1562.58 g/mol
• Exact Mass: 1559.62
• IUPAC Name: 8-chloro-5-[2-cyclopropyl-2-(4-fluorophenyl)propyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;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)propan-2-ol;1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(6-methyl-3-pyridinyl)propan-2-ol
• SMILES: CN1CCc2c(c3cc(Cl)ccc3n2CC(C)(O)c2ccc(F)cc2)C1.CN1CCc2c(c3cc(Cl)ccc3n2CC(C)(c2ccc(F)cc2)C2CC2)C1.CN1CCc2c(c3cc(Cl)ccc3n2CC(O)(c2ccc(F)cc2)C(C)(F)F)C1.Cc1ccc(C(C)(O)Cn2c3c(c4cc(Cl)ccc42)CN(C)CC3)cn1
• InChI: InChI=1S/C24H26ClFN2.C22H22ClF3N2O.C21H22ClFN2O.C21H24ClN3O/c1-24(16-3-4-16,17-5-8-19(26)9-6-17)15-28-22-10-7-18(25)13-20(22)21-14-27(2)12-11-23(21)28;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;1-21(26,14-3-6-16(23)7-4-14)13-25-19-8-5-15(22)11-17(19)18-12-24(2)10-9-20(18)25;1-14-4-5-15(11-23-14)21(2,26)13-25-19-7-6-16(22)10-17(19)18-12-24(3)9-8-20(18)25/h5-10,13,16H,3-4,11-12,14-15H2,1-2H3;3-8,11,29H,9-10,12-13H2,1-2H3;3-8,11,26H,9-10,12-13H2,1-2H3;4-7,10-11,26H,8-9,12-13H2,1-3H3
• InChIKey: HMVPFSAKPNMHBA-UHFFFAOYSA-N
• XLogP: 18.98
• TPSA: 106.26 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 14
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1562.58
LogP ≤ 5	18.98
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-chloro-5-[2-cyclopropyl-2-(4-fluorophenyl)propyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;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)propan-2-ol;1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(6-methyl-3-pyridinyl)propan-2-ol?

The IUPAC name of 8-chloro-5-[2-cyclopropyl-2-(4-fluorophenyl)propyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;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)propan-2-ol;1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(6-methyl-3-pyridinyl)propan-2-ol (CID 158526458) is 8-chloro-5-[2-cyclopropyl-2-(4-fluorophenyl)propyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;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)propan-2-ol;1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(6-methyl-3-pyridinyl)propan-2-ol.

What is the SMILES notation for 8-chloro-5-[2-cyclopropyl-2-(4-fluorophenyl)propyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;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)propan-2-ol;1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(6-methyl-3-pyridinyl)propan-2-ol?

The canonical SMILES for 8-chloro-5-[2-cyclopropyl-2-(4-fluorophenyl)propyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;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)propan-2-ol;1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(6-methyl-3-pyridinyl)propan-2-ol is CN1CCc2c(c3cc(Cl)ccc3n2CC(C)(O)c2ccc(F)cc2)C1.CN1CCc2c(c3cc(Cl)ccc3n2CC(C)(c2ccc(F)cc2)C2CC2)C1.CN1CCc2c(c3cc(Cl)ccc3n2CC(O)(c2ccc(F)cc2)C(C)(F)F)C1.Cc1ccc(C(C)(O)Cn2c3c(c4cc(Cl)ccc42)CN(C)CC3)cn1.

What is the InChIKey of 8-chloro-5-[2-cyclopropyl-2-(4-fluorophenyl)propyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;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)propan-2-ol;1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(6-methyl-3-pyridinyl)propan-2-ol?

The InChIKey is HMVPFSAKPNMHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClFN2.C22H22ClF3N2O.C21H22ClFN2O.C21H24ClN3O/c1-24(16-3-4-16,17-5-8-19(26)9-6-17)15-28-22-10-7-18(25)13-20(22)21-14-27(2)12-11-23(21)28;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;1-21(26,14-3-6-16(23)7-4-14)13-25-19-8-5-15(22)11-17(19)18-12-24(2)10-9-20(18)25;1-14-4-5-15(11-23-14)21(2,26)13-25-19-7-6-16(22)10-17(19)18-12-24(3)9-8-20(18)25/h5-10,13,16H,3-4,11-12,14-15H2,1-2H3;3-8,11,29H,9-10,12-13H2,1-2H3;3-8,11,26H,9-10,12-13H2,1-2H3;4-7,10-11,26H,8-9,12-13H2,1-3H3.

What are the key properties of 8-chloro-5-[2-cyclopropyl-2-(4-fluorophenyl)propyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;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)propan-2-ol;1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(6-methyl-3-pyridinyl)propan-2-ol?

8-chloro-5-[2-cyclopropyl-2-(4-fluorophenyl)propyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;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)propan-2-ol;1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(6-methyl-3-pyridinyl)propan-2-ol has a molecular weight of 1562.58 g/mol, XLogP of 18.98, 14 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 8-chloro-5-[2-cyclopropyl-2-(4-fluorophenyl)propyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole;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)propan-2-ol;1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(6-methyl-3-pyridinyl)propan-2-ol is sourced from PubChem (CID 158526458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).