8-fluoro-2-methyl-5-(2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride

C19H21ClFN3 — CID 140550833

IUPAC8-fluoro-2-methyl-5-(2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride
SMILESCN1CCc2c(c3cc(F)ccc3n2CCc2cccnc2)C1.Cl
InChIInChI=1S/C19H20FN3.ClH/c1-22-9-7-19-17(13-22)16-11-15(20)4-5-18(16)23(19)10-6-14-3-2-8-21-12-14;/h2-5,8,11-12H,6-7,9-10,13H2,1H3;1H
InChIKeyVUKCTNKGPXRSKP-UHFFFAOYSA-N
MW345.85 g/mol
LogP3.83
Rot. Bonds3

About 8-fluoro-2-methyl-5-(2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride

8-fluoro-2-methyl-5-(2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride (PubChem CID 140550833) has the molecular formula C19H21ClFN3 and a molecular weight of 345.85 g/mol. Its IUPAC name is 8-fluoro-2-methyl-5-(2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride.

Molecular Properties

Compound Name8-fluoro-2-methyl-5-(2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride
PubChem CID140550833
Molecular FormulaC19H21ClFN3
Molecular Weight345.85 g/mol
Exact Mass345.14
IUPAC Name8-fluoro-2-methyl-5-(2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride
SMILESCN1CCc2c(c3cc(F)ccc3n2CCc2cccnc2)C1.Cl
InChIInChI=1S/C19H20FN3.ClH/c1-22-9-7-19-17(13-22)16-11-15(20)4-5-18(16)23(19)10-6-14-3-2-8-21-12-14;/h2-5,8,11-12H,6-7,9-10,13H2,1H3;1H
InChIKeyVUKCTNKGPXRSKP-UHFFFAOYSA-N
XLogP3.83
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.85
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 8-fluoro-2-methyl-5-(2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride with MolForge

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Related Compounds

2-methyl-5-(2-pyridin-3-ylethyl)-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride
CID 143825782
8-fluoro-2-methyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;dihydrochloride
CID 146061141
8-fluoro-2-methyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride
CID 140550813
9-fluoro-2-methyl-6-[2-(6-methyl-3-pyridinyl)ethyl]-1,3,4,5-tetrahydroazepino[4,3-b]indole;dihydrochloride
CID 146061138
8-fluoro-5-[2-(4-methoxyphenyl)ethyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 46225027
8-fluoro-2-methyl-5-pyridin-3-yl-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 44612929
9-fluoro-2-methyl-6-(2-pyridin-2-ylethyl)-1,3,4,5-tetrahydroazepino[4,3-b]indole
CID 58147068
6-benzyl-9-fluoro-2-methyl-1,3,4,5-tetrahydroazepino[4,3-b]indole;hydrochloride
CID 155881889
2,8-dimethyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;ethane
CID 143998170
8-methyl-2-piperidin-4-yl-5-(2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 58147125
2,9-dimethyl-6-(pyridin-3-ylmethyl)-1,3,4,5-tetrahydroazepino[4,3-b]indole
CID 58159614
2-tert-butyl-5-(2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-(2-pyridin-4-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;2-methyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 157215260

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2-methyl-5-(2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride?
The IUPAC name of 8-fluoro-2-methyl-5-(2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride (CID 140550833) is 8-fluoro-2-methyl-5-(2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride.
What is the SMILES notation for 8-fluoro-2-methyl-5-(2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride?
The canonical SMILES for 8-fluoro-2-methyl-5-(2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride is CN1CCc2c(c3cc(F)ccc3n2CCc2cccnc2)C1.Cl.
What is the InChIKey of 8-fluoro-2-methyl-5-(2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride?
The InChIKey is VUKCTNKGPXRSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3.ClH/c1-22-9-7-19-17(13-22)16-11-15(20)4-5-18(16)23(19)10-6-14-3-2-8-21-12-14;/h2-5,8,11-12H,6-7,9-10,13H2,1H3;1H.
What are the key properties of 8-fluoro-2-methyl-5-(2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride?
8-fluoro-2-methyl-5-(2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride has a molecular weight of 345.85 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2-methyl-5-(2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride is sourced from PubChem (CID 140550833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).