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

C84H92Cl4F2N10O4 — CID 157112897

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

(2R)-1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(4-fluorophenyl)propan-2-ol;(2S)-1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(4-fluorophenyl)propan-2-ol;(2R)-1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(6-methyl-3-pyridinyl)propan-2-ol;(2S)-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 157112897) has the molecular formula C84H92Cl4F2N10O4 and a molecular weight of 1485.53 g/mol. Its IUPAC name is (2R)-1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(4-fluorophenyl)propan-2-ol;(2S)-1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(4-fluorophenyl)propan-2-ol;(2R)-1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(6-methyl-3-pyridinyl)propan-2-ol;(2S)-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: (2R)-1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(4-fluorophenyl)propan-2-ol;(2S)-1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(4-fluorophenyl)propan-2-ol;(2R)-1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(6-methyl-3-pyridinyl)propan-2-ol;(2S)-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: 157112897
• Molecular Formula: C84H92Cl4F2N10O4
• Molecular Weight: 1485.53 g/mol
• Exact Mass: 1482.60
• IUPAC Name: (2R)-1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(4-fluorophenyl)propan-2-ol;(2S)-1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(4-fluorophenyl)propan-2-ol;(2R)-1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(6-methyl-3-pyridinyl)propan-2-ol;(2S)-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)ccc3n2C[C@@](C)(O)c2ccc(F)cc2)C1.CN1CCc2c(c3cc(Cl)ccc3n2C[C@](C)(O)c2ccc(F)cc2)C1.Cc1ccc([C@@](C)(O)Cn2c3c(c4cc(Cl)ccc42)CN(C)CC3)cn1.Cc1ccc([C@](C)(O)Cn2c3c(c4cc(Cl)ccc42)CN(C)CC3)cn1
• InChI: InChI=1S/2C21H22ClFN2O.2C21H24ClN3O/c2*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;2*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/h2*3-8,11,26H,9-10,12-13H2,1-2H3;2*4-7,10-11,26H,8-9,12-13H2,1-3H3/t4*21-/m1010/s1
• InChIKey: AHBDQFGCVAPNFJ-JTDXRMPCSA-N
• XLogP: 16.45
• TPSA: 139.38 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 12
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1485.53
LogP ≤ 5	16.45
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(4-fluorophenyl)propan-2-ol;(2S)-1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(4-fluorophenyl)propan-2-ol;(2R)-1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(6-methyl-3-pyridinyl)propan-2-ol;(2S)-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 (2R)-1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(4-fluorophenyl)propan-2-ol;(2S)-1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(4-fluorophenyl)propan-2-ol;(2R)-1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(6-methyl-3-pyridinyl)propan-2-ol;(2S)-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 157112897) is (2R)-1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(4-fluorophenyl)propan-2-ol;(2S)-1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(4-fluorophenyl)propan-2-ol;(2R)-1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(6-methyl-3-pyridinyl)propan-2-ol;(2S)-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 (2R)-1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(4-fluorophenyl)propan-2-ol;(2S)-1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(4-fluorophenyl)propan-2-ol;(2R)-1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(6-methyl-3-pyridinyl)propan-2-ol;(2S)-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 (2R)-1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(4-fluorophenyl)propan-2-ol;(2S)-1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(4-fluorophenyl)propan-2-ol;(2R)-1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(6-methyl-3-pyridinyl)propan-2-ol;(2S)-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)ccc3n2C[C@@](C)(O)c2ccc(F)cc2)C1.CN1CCc2c(c3cc(Cl)ccc3n2C[C@](C)(O)c2ccc(F)cc2)C1.Cc1ccc([C@@](C)(O)Cn2c3c(c4cc(Cl)ccc42)CN(C)CC3)cn1.Cc1ccc([C@](C)(O)Cn2c3c(c4cc(Cl)ccc42)CN(C)CC3)cn1.

What is the InChIKey of (2R)-1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(4-fluorophenyl)propan-2-ol;(2S)-1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(4-fluorophenyl)propan-2-ol;(2R)-1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(6-methyl-3-pyridinyl)propan-2-ol;(2S)-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 AHBDQFGCVAPNFJ-JTDXRMPCSA-N. The full InChI is InChI=1S/2C21H22ClFN2O.2C21H24ClN3O/c2*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;2*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/h2*3-8,11,26H,9-10,12-13H2,1-2H3;2*4-7,10-11,26H,8-9,12-13H2,1-3H3/t4*21-/m1010/s1.

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

(2R)-1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(4-fluorophenyl)propan-2-ol;(2S)-1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(4-fluorophenyl)propan-2-ol;(2R)-1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(6-methyl-3-pyridinyl)propan-2-ol;(2S)-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 1485.53 g/mol, XLogP of 16.45, 12 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(4-fluorophenyl)propan-2-ol;(2S)-1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(4-fluorophenyl)propan-2-ol;(2R)-1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(6-methyl-3-pyridinyl)propan-2-ol;(2S)-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 157112897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).