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

C23H21ClF2N4 — CID 54586687

IUPAC8-fluoro-5-(4-fluorophenyl)-2-(2-pyrazin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride
SMILESCl.Fc1ccc(-n2c3c(c4cc(F)ccc42)CN(CCc2cnccn2)CC3)cc1
InChIInChI=1S/C23H20F2N4.ClH/c24-16-1-4-19(5-2-16)29-22-6-3-17(25)13-20(22)21-15-28(12-8-23(21)29)11-7-18-14-26-9-10-27-18;/h1-6,9-10,13-14H,7-8,11-12,15H2;1H
InChIKeyOHEDKNPUDIGWQG-UHFFFAOYSA-N
MW426.90 g/mol
LogP4.72
Rot. Bonds4

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

8-fluoro-5-(4-fluorophenyl)-2-(2-pyrazin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride (PubChem CID 54586687) has the molecular formula C23H21ClF2N4 and a molecular weight of 426.90 g/mol. Its IUPAC name is 8-fluoro-5-(4-fluorophenyl)-2-(2-pyrazin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride.

Molecular Properties

Compound Name8-fluoro-5-(4-fluorophenyl)-2-(2-pyrazin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride
PubChem CID54586687
Molecular FormulaC23H21ClF2N4
Molecular Weight426.90 g/mol
Exact Mass426.14
IUPAC Name8-fluoro-5-(4-fluorophenyl)-2-(2-pyrazin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride
SMILESCl.Fc1ccc(-n2c3c(c4cc(F)ccc42)CN(CCc2cnccn2)CC3)cc1
InChIInChI=1S/C23H20F2N4.ClH/c24-16-1-4-19(5-2-16)29-22-6-3-17(25)13-20(22)21-15-28(12-8-23(21)29)11-7-18-14-26-9-10-27-18;/h1-6,9-10,13-14H,7-8,11-12,15H2;1H
InChIKeyOHEDKNPUDIGWQG-UHFFFAOYSA-N
XLogP4.72
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.90
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-5-(4-fluorophenyl)-2-(2-pyrazin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride?
The IUPAC name of 8-fluoro-5-(4-fluorophenyl)-2-(2-pyrazin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride (CID 54586687) is 8-fluoro-5-(4-fluorophenyl)-2-(2-pyrazin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride.
What is the SMILES notation for 8-fluoro-5-(4-fluorophenyl)-2-(2-pyrazin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride?
The canonical SMILES for 8-fluoro-5-(4-fluorophenyl)-2-(2-pyrazin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride is Cl.Fc1ccc(-n2c3c(c4cc(F)ccc42)CN(CCc2cnccn2)CC3)cc1.
What is the InChIKey of 8-fluoro-5-(4-fluorophenyl)-2-(2-pyrazin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride?
The InChIKey is OHEDKNPUDIGWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N4.ClH/c24-16-1-4-19(5-2-16)29-22-6-3-17(25)13-20(22)21-15-28(12-8-23(21)29)11-7-18-14-26-9-10-27-18;/h1-6,9-10,13-14H,7-8,11-12,15H2;1H.
What are the key properties of 8-fluoro-5-(4-fluorophenyl)-2-(2-pyrazin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride?
8-fluoro-5-(4-fluorophenyl)-2-(2-pyrazin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride has a molecular weight of 426.90 g/mol, XLogP of 4.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-5-(4-fluorophenyl)-2-(2-pyrazin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride is sourced from PubChem (CID 54586687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).