8-fluoro-2-(2-pyrazin-2-ylethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole;hydrochloride

C17H18ClFN4 — CID 54581850

IUPAC8-fluoro-2-(2-pyrazin-2-ylethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole;hydrochloride
SMILESCl.Fc1ccc2[nH]c3c(c2c1)CN(CCc1cnccn1)CC3
InChIInChI=1S/C17H17FN4.ClH/c18-12-1-2-16-14(9-12)15-11-22(8-4-17(15)21-16)7-3-13-10-19-5-6-20-13;/h1-2,5-6,9-10,21H,3-4,7-8,11H2;1H
InChIKeyDSLZPRNINBVMBG-UHFFFAOYSA-N
MW332.81 g/mol
LogP3.12
Rot. Bonds3

About 8-fluoro-2-(2-pyrazin-2-ylethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole;hydrochloride

8-fluoro-2-(2-pyrazin-2-ylethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole;hydrochloride (PubChem CID 54581850) has the molecular formula C17H18ClFN4 and a molecular weight of 332.81 g/mol. Its IUPAC name is 8-fluoro-2-(2-pyrazin-2-ylethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole;hydrochloride.

Molecular Properties

Compound Name8-fluoro-2-(2-pyrazin-2-ylethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole;hydrochloride
PubChem CID54581850
Molecular FormulaC17H18ClFN4
Molecular Weight332.81 g/mol
Exact Mass332.12
IUPAC Name8-fluoro-2-(2-pyrazin-2-ylethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole;hydrochloride
SMILESCl.Fc1ccc2[nH]c3c(c2c1)CN(CCc1cnccn1)CC3
InChIInChI=1S/C17H17FN4.ClH/c18-12-1-2-16-14(9-12)15-11-22(8-4-17(15)21-16)7-3-13-10-19-5-6-20-13;/h1-2,5-6,9-10,21H,3-4,7-8,11H2;1H
InChIKeyDSLZPRNINBVMBG-UHFFFAOYSA-N
XLogP3.12
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.81
LogP ≤ 53.12
H-Bond Donors ≤ 51
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 8-fluoro-2-(2-pyrazin-2-ylethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole;hydrochloride?
The IUPAC name of 8-fluoro-2-(2-pyrazin-2-ylethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole;hydrochloride (CID 54581850) is 8-fluoro-2-(2-pyrazin-2-ylethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole;hydrochloride.
What is the SMILES notation for 8-fluoro-2-(2-pyrazin-2-ylethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole;hydrochloride?
The canonical SMILES for 8-fluoro-2-(2-pyrazin-2-ylethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole;hydrochloride is Cl.Fc1ccc2[nH]c3c(c2c1)CN(CCc1cnccn1)CC3.
What is the InChIKey of 8-fluoro-2-(2-pyrazin-2-ylethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole;hydrochloride?
The InChIKey is DSLZPRNINBVMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4.ClH/c18-12-1-2-16-14(9-12)15-11-22(8-4-17(15)21-16)7-3-13-10-19-5-6-20-13;/h1-2,5-6,9-10,21H,3-4,7-8,11H2;1H.
What are the key properties of 8-fluoro-2-(2-pyrazin-2-ylethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole;hydrochloride?
8-fluoro-2-(2-pyrazin-2-ylethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole;hydrochloride has a molecular weight of 332.81 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2-(2-pyrazin-2-ylethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole;hydrochloride is sourced from PubChem (CID 54581850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).