2-ethyl-5-[2-(5-fluoro-3-pyridinyl)ethyl]-8-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole

C21H24FN3 — CID 25233167

IUPAC2-ethyl-5-[2-(5-fluoro-3-pyridinyl)ethyl]-8-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCCN1CCc2c(c3cc(C)ccc3n2CCc2cncc(F)c2)C1
InChIInChI=1S/C21H24FN3/c1-3-24-8-7-21-19(14-24)18-10-15(2)4-5-20(18)25(21)9-6-16-11-17(22)13-23-12-16/h4-5,10-13H,3,6-9,14H2,1-2H3
InChIKeyWRLXBRCTYMGKCM-UHFFFAOYSA-N
MW337.44 g/mol
LogP4.10
Rot. Bonds4

About 2-ethyl-5-[2-(5-fluoro-3-pyridinyl)ethyl]-8-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole

2-ethyl-5-[2-(5-fluoro-3-pyridinyl)ethyl]-8-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole (PubChem CID 25233167) has the molecular formula C21H24FN3 and a molecular weight of 337.44 g/mol. Its IUPAC name is 2-ethyl-5-[2-(5-fluoro-3-pyridinyl)ethyl]-8-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name2-ethyl-5-[2-(5-fluoro-3-pyridinyl)ethyl]-8-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole
PubChem CID25233167
Molecular FormulaC21H24FN3
Molecular Weight337.44 g/mol
Exact Mass337.20
IUPAC Name2-ethyl-5-[2-(5-fluoro-3-pyridinyl)ethyl]-8-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCCN1CCc2c(c3cc(C)ccc3n2CCc2cncc(F)c2)C1
InChIInChI=1S/C21H24FN3/c1-3-24-8-7-21-19(14-24)18-10-15(2)4-5-20(18)25(21)9-6-16-11-17(22)13-23-12-16/h4-5,10-13H,3,6-9,14H2,1-2H3
InChIKeyWRLXBRCTYMGKCM-UHFFFAOYSA-N
XLogP4.10
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[2-(5-fluoro-3-pyridinyl)ethyl]-8-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole?
The IUPAC name of 2-ethyl-5-[2-(5-fluoro-3-pyridinyl)ethyl]-8-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole (CID 25233167) is 2-ethyl-5-[2-(5-fluoro-3-pyridinyl)ethyl]-8-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole.
What is the SMILES notation for 2-ethyl-5-[2-(5-fluoro-3-pyridinyl)ethyl]-8-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole?
The canonical SMILES for 2-ethyl-5-[2-(5-fluoro-3-pyridinyl)ethyl]-8-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole is CCN1CCc2c(c3cc(C)ccc3n2CCc2cncc(F)c2)C1.
What is the InChIKey of 2-ethyl-5-[2-(5-fluoro-3-pyridinyl)ethyl]-8-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole?
The InChIKey is WRLXBRCTYMGKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3/c1-3-24-8-7-21-19(14-24)18-10-15(2)4-5-20(18)25(21)9-6-16-11-17(22)13-23-12-16/h4-5,10-13H,3,6-9,14H2,1-2H3.
What are the key properties of 2-ethyl-5-[2-(5-fluoro-3-pyridinyl)ethyl]-8-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole?
2-ethyl-5-[2-(5-fluoro-3-pyridinyl)ethyl]-8-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole has a molecular weight of 337.44 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[2-(5-fluoro-3-pyridinyl)ethyl]-8-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 25233167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).