8-fluoro-2-(3-pyridin-3-ylpropyl)-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole;hydrochloride

C19H23ClFN3 — CID 70394923

IUPAC8-fluoro-2-(3-pyridin-3-ylpropyl)-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole;hydrochloride
SMILESCl.Fc1ccc2c(c1)C1CN(CCCc3cccnc3)CCC1N2
InChIInChI=1S/C19H22FN3.ClH/c20-15-5-6-18-16(11-15)17-13-23(10-7-19(17)22-18)9-2-4-14-3-1-8-21-12-14;/h1,3,5-6,8,11-12,17,19,22H,2,4,7,9-10,13H2;1H
InChIKeyLUJVSGGEVBYRLI-UHFFFAOYSA-N
MW347.87 g/mol
LogP3.86
Rot. Bonds4

About 8-fluoro-2-(3-pyridin-3-ylpropyl)-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole;hydrochloride

8-fluoro-2-(3-pyridin-3-ylpropyl)-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole;hydrochloride (PubChem CID 70394923) has the molecular formula C19H23ClFN3 and a molecular weight of 347.87 g/mol. Its IUPAC name is 8-fluoro-2-(3-pyridin-3-ylpropyl)-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole;hydrochloride.

Molecular Properties

Compound Name8-fluoro-2-(3-pyridin-3-ylpropyl)-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole;hydrochloride
PubChem CID70394923
Molecular FormulaC19H23ClFN3
Molecular Weight347.87 g/mol
Exact Mass347.16
IUPAC Name8-fluoro-2-(3-pyridin-3-ylpropyl)-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole;hydrochloride
SMILESCl.Fc1ccc2c(c1)C1CN(CCCc3cccnc3)CCC1N2
InChIInChI=1S/C19H22FN3.ClH/c20-15-5-6-18-16(11-15)17-13-23(10-7-19(17)22-18)9-2-4-14-3-1-8-21-12-14;/h1,3,5-6,8,11-12,17,19,22H,2,4,7,9-10,13H2;1H
InChIKeyLUJVSGGEVBYRLI-UHFFFAOYSA-N
XLogP3.86
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.87
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-fluoro-2-(3-pyridin-3-ylpropyl)-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole;hydrochloride with MolForge

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Related Compounds

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3-(3-pyrrolidin-1-ylpropyl)pyridine
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1-[4-[3-(3-fluorophenyl)propyl]piperazin-1-yl]-4-pyridin-3-ylbutan-1-one
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(2S,6R)-2,6-dimethyl-4-[1-(3-pyridin-3-ylpropyl)piperidin-4-yl]morpholine
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CID 14306787
3-[3-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]propyl]pyridine
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2-[(2R)-4-(3-pyridin-3-ylpropyl)morpholin-2-yl]ethanamine
CID 124750899
3-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]propan-1-amine
CID 55168058
12-[3-(6-fluoro-2H-indazol-3-yl)propyl]-1,4,12-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-trien-3-one
CID 135197485

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2-(3-pyridin-3-ylpropyl)-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole;hydrochloride?
The IUPAC name of 8-fluoro-2-(3-pyridin-3-ylpropyl)-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole;hydrochloride (CID 70394923) is 8-fluoro-2-(3-pyridin-3-ylpropyl)-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole;hydrochloride.
What is the SMILES notation for 8-fluoro-2-(3-pyridin-3-ylpropyl)-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole;hydrochloride?
The canonical SMILES for 8-fluoro-2-(3-pyridin-3-ylpropyl)-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole;hydrochloride is Cl.Fc1ccc2c(c1)C1CN(CCCc3cccnc3)CCC1N2.
What is the InChIKey of 8-fluoro-2-(3-pyridin-3-ylpropyl)-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole;hydrochloride?
The InChIKey is LUJVSGGEVBYRLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3.ClH/c20-15-5-6-18-16(11-15)17-13-23(10-7-19(17)22-18)9-2-4-14-3-1-8-21-12-14;/h1,3,5-6,8,11-12,17,19,22H,2,4,7,9-10,13H2;1H.
What are the key properties of 8-fluoro-2-(3-pyridin-3-ylpropyl)-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole;hydrochloride?
8-fluoro-2-(3-pyridin-3-ylpropyl)-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole;hydrochloride has a molecular weight of 347.87 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2-(3-pyridin-3-ylpropyl)-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole;hydrochloride is sourced from PubChem (CID 70394923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).