1-(5-chloro-3-ethyl-2-propylindol-1-yl)-2-(4-chloro-3-fluorophenyl)propan-2-ol;1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(3,4-difluorophenyl)propan-2-ol;ethane

C47H57Cl3F3N3O2 — CID 143798811

About 1-(5-chloro-3-ethyl-2-propylindol-1-yl)-2-(4-chloro-3-fluorophenyl)propan-2-ol;1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(3,4-difluorophenyl)propan-2-ol;ethane

1-(5-chloro-3-ethyl-2-propylindol-1-yl)-2-(4-chloro-3-fluorophenyl)propan-2-ol;1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(3,4-difluorophenyl)propan-2-ol;ethane (PubChem CID 143798811) has the molecular formula C47H57Cl3F3N3O2 and a molecular weight of 859.34 g/mol. Its IUPAC name is 1-(5-chloro-3-ethyl-2-propylindol-1-yl)-2-(4-chloro-3-fluorophenyl)propan-2-ol;1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(3,4-difluorophenyl)propan-2-ol;ethane.

Molecular Properties

• Compound Name: 1-(5-chloro-3-ethyl-2-propylindol-1-yl)-2-(4-chloro-3-fluorophenyl)propan-2-ol;1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(3,4-difluorophenyl)propan-2-ol;ethane
• PubChem CID: 143798811
• Molecular Formula: C47H57Cl3F3N3O2
• Molecular Weight: 859.34 g/mol
• Exact Mass: 857.35
• IUPAC Name: 1-(5-chloro-3-ethyl-2-propylindol-1-yl)-2-(4-chloro-3-fluorophenyl)propan-2-ol;1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(3,4-difluorophenyl)propan-2-ol;ethane
• SMILES: CC.CC.CCCc1c(CC)c2cc(Cl)ccc2n1CC(C)(O)c1ccc(Cl)c(F)c1.CN1CCc2c(c3cc(Cl)ccc3n2CC(C)(O)c2ccc(F)c(F)c2)C1
• InChI: InChI=1S/C22H24Cl2FNO.C21H21ClF2N2O.2C2H6/c1-4-6-20-16(5-2)17-12-15(23)8-10-21(17)26(20)13-22(3,27)14-7-9-18(24)19(25)11-14;1-21(27,13-3-5-17(23)18(24)9-13)12-26-19-6-4-14(22)10-15(19)16-11-25(2)8-7-20(16)26;2*1-2/h7-12,27H,4-6,13H2,1-3H3;3-6,9-10,27H,7-8,11-12H2,1-2H3;2*1-2H3
• InChIKey: RZYTYAKLPVVDSE-UHFFFAOYSA-N
• XLogP: 13.03
• TPSA: 53.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	859.34
LogP ≤ 5	13.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 1-(5-chloro-3-ethyl-2-propylindol-1-yl)-2-(4-chloro-3-fluorophenyl)propan-2-ol;1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(3,4-difluorophenyl)propan-2-ol;ethane (CID 143798811) is 1-(5-chloro-3-ethyl-2-propylindol-1-yl)-2-(4-chloro-3-fluorophenyl)propan-2-ol;1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(3,4-difluorophenyl)propan-2-ol;ethane.

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

The canonical SMILES for 1-(5-chloro-3-ethyl-2-propylindol-1-yl)-2-(4-chloro-3-fluorophenyl)propan-2-ol;1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(3,4-difluorophenyl)propan-2-ol;ethane is CC.CC.CCCc1c(CC)c2cc(Cl)ccc2n1CC(C)(O)c1ccc(Cl)c(F)c1.CN1CCc2c(c3cc(Cl)ccc3n2CC(C)(O)c2ccc(F)c(F)c2)C1.

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

The InChIKey is RZYTYAKLPVVDSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24Cl2FNO.C21H21ClF2N2O.2C2H6/c1-4-6-20-16(5-2)17-12-15(23)8-10-21(17)26(20)13-22(3,27)14-7-9-18(24)19(25)11-14;1-21(27,13-3-5-17(23)18(24)9-13)12-26-19-6-4-14(22)10-15(19)16-11-25(2)8-7-20(16)26;2*1-2/h7-12,27H,4-6,13H2,1-3H3;3-6,9-10,27H,7-8,11-12H2,1-2H3;2*1-2H3.

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

1-(5-chloro-3-ethyl-2-propylindol-1-yl)-2-(4-chloro-3-fluorophenyl)propan-2-ol;1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(3,4-difluorophenyl)propan-2-ol;ethane has a molecular weight of 859.34 g/mol, XLogP of 13.03, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-chloro-3-ethyl-2-propylindol-1-yl)-2-(4-chloro-3-fluorophenyl)propan-2-ol;1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-(3,4-difluorophenyl)propan-2-ol;ethane is sourced from PubChem (CID 143798811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).