5-fluoro-3-[2-[(6-methyl-2-pyridinyl)methylamino]ethyl]-1-propylindol-4-ol

C20H24FN3O — CID 58303943

IUPAC5-fluoro-3-[2-[(6-methyl-2-pyridinyl)methylamino]ethyl]-1-propylindol-4-ol
SMILESCCCn1cc(CCNCc2cccc(C)n2)c2c(O)c(F)ccc21
InChIInChI=1S/C20H24FN3O/c1-3-11-24-13-15(19-18(24)8-7-17(21)20(19)25)9-10-22-12-16-6-4-5-14(2)23-16/h4-8,13,22,25H,3,9-12H2,1-2H3
InChIKeyIGDAJNPYVFQQFC-UHFFFAOYSA-N
MW341.43 g/mol
LogP3.93
Rot. Bonds7

About 5-fluoro-3-[2-[(6-methyl-2-pyridinyl)methylamino]ethyl]-1-propylindol-4-ol

5-fluoro-3-[2-[(6-methyl-2-pyridinyl)methylamino]ethyl]-1-propylindol-4-ol (PubChem CID 58303943) has the molecular formula C20H24FN3O and a molecular weight of 341.43 g/mol. Its IUPAC name is 5-fluoro-3-[2-[(6-methyl-2-pyridinyl)methylamino]ethyl]-1-propylindol-4-ol.

Molecular Properties

Compound Name5-fluoro-3-[2-[(6-methyl-2-pyridinyl)methylamino]ethyl]-1-propylindol-4-ol
PubChem CID58303943
Molecular FormulaC20H24FN3O
Molecular Weight341.43 g/mol
Exact Mass341.19
IUPAC Name5-fluoro-3-[2-[(6-methyl-2-pyridinyl)methylamino]ethyl]-1-propylindol-4-ol
SMILESCCCn1cc(CCNCc2cccc(C)n2)c2c(O)c(F)ccc21
InChIInChI=1S/C20H24FN3O/c1-3-11-24-13-15(19-18(24)8-7-17(21)20(19)25)9-10-22-12-16-6-4-5-14(2)23-16/h4-8,13,22,25H,3,9-12H2,1-2H3
InChIKeyIGDAJNPYVFQQFC-UHFFFAOYSA-N
XLogP3.93
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-[2-[(6-methyl-2-pyridinyl)methylamino]ethyl]-1-propylindol-4-ol?
The IUPAC name of 5-fluoro-3-[2-[(6-methyl-2-pyridinyl)methylamino]ethyl]-1-propylindol-4-ol (CID 58303943) is 5-fluoro-3-[2-[(6-methyl-2-pyridinyl)methylamino]ethyl]-1-propylindol-4-ol.
What is the SMILES notation for 5-fluoro-3-[2-[(6-methyl-2-pyridinyl)methylamino]ethyl]-1-propylindol-4-ol?
The canonical SMILES for 5-fluoro-3-[2-[(6-methyl-2-pyridinyl)methylamino]ethyl]-1-propylindol-4-ol is CCCn1cc(CCNCc2cccc(C)n2)c2c(O)c(F)ccc21.
What is the InChIKey of 5-fluoro-3-[2-[(6-methyl-2-pyridinyl)methylamino]ethyl]-1-propylindol-4-ol?
The InChIKey is IGDAJNPYVFQQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O/c1-3-11-24-13-15(19-18(24)8-7-17(21)20(19)25)9-10-22-12-16-6-4-5-14(2)23-16/h4-8,13,22,25H,3,9-12H2,1-2H3.
What are the key properties of 5-fluoro-3-[2-[(6-methyl-2-pyridinyl)methylamino]ethyl]-1-propylindol-4-ol?
5-fluoro-3-[2-[(6-methyl-2-pyridinyl)methylamino]ethyl]-1-propylindol-4-ol has a molecular weight of 341.43 g/mol, XLogP of 3.93, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-[2-[(6-methyl-2-pyridinyl)methylamino]ethyl]-1-propylindol-4-ol is sourced from PubChem (CID 58303943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).