7-(3-fluorophenyl)-9-methoxy-N-methyl-2-pyrazin-2-yl-1-benzazepin-5-imine

C22H17FN4O — CID 123428652

IUPAC7-(3-fluorophenyl)-9-methoxy-N-methyl-2-pyrazin-2-yl-1-benzazepin-5-imine
SMILESC/N=c1\ccc(-c2cnccn2)nc2c(OC)cc(-c3cccc(F)c3)cc12
InChIInChI=1S/C22H17FN4O/c1-24-18-6-7-19(20-13-25-8-9-26-20)27-22-17(18)11-15(12-21(22)28-2)14-4-3-5-16(23)10-14/h3-13H,1-2H3/b24-18+
InChIKeyGGIKOAWMAVTHTE-HKOYGPOVSA-N
MW372.40 g/mol
LogP4.04
Rot. Bonds3

About 7-(3-fluorophenyl)-9-methoxy-N-methyl-2-pyrazin-2-yl-1-benzazepin-5-imine

7-(3-fluorophenyl)-9-methoxy-N-methyl-2-pyrazin-2-yl-1-benzazepin-5-imine (PubChem CID 123428652) has the molecular formula C22H17FN4O and a molecular weight of 372.40 g/mol. Its IUPAC name is 7-(3-fluorophenyl)-9-methoxy-N-methyl-2-pyrazin-2-yl-1-benzazepin-5-imine.

Molecular Properties

Compound Name7-(3-fluorophenyl)-9-methoxy-N-methyl-2-pyrazin-2-yl-1-benzazepin-5-imine
PubChem CID123428652
Molecular FormulaC22H17FN4O
Molecular Weight372.40 g/mol
Exact Mass372.14
IUPAC Name7-(3-fluorophenyl)-9-methoxy-N-methyl-2-pyrazin-2-yl-1-benzazepin-5-imine
SMILESC/N=c1\ccc(-c2cnccn2)nc2c(OC)cc(-c3cccc(F)c3)cc12
InChIInChI=1S/C22H17FN4O/c1-24-18-6-7-19(20-13-25-8-9-26-20)27-22-17(18)11-15(12-21(22)28-2)14-4-3-5-16(23)10-14/h3-13H,1-2H3/b24-18+
InChIKeyGGIKOAWMAVTHTE-HKOYGPOVSA-N
XLogP4.04
TPSA60.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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4-[1-[4-(2,5-Dimethoxyphenyl)phenyl]triazol-4-yl]-3-fluoropyridine
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1-(2-Methoxyphenyl)-4-[2-(4-fluorobenzyl)-2-(4-pyridyl)ethyl]piperazine
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1-(2-Methoxyphenyl)-4-[[1-(2-methylphenyl)pyrrol-2-yl]methyl]piperazine
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1-(2-Methoxyphenyl)-4-[[1-(2-phenylphenyl)pyrrol-2-yl]methyl]piperazine
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Frequently Asked Questions

What is the IUPAC name of 7-(3-fluorophenyl)-9-methoxy-N-methyl-2-pyrazin-2-yl-1-benzazepin-5-imine?
The IUPAC name of 7-(3-fluorophenyl)-9-methoxy-N-methyl-2-pyrazin-2-yl-1-benzazepin-5-imine (CID 123428652) is 7-(3-fluorophenyl)-9-methoxy-N-methyl-2-pyrazin-2-yl-1-benzazepin-5-imine.
What is the SMILES notation for 7-(3-fluorophenyl)-9-methoxy-N-methyl-2-pyrazin-2-yl-1-benzazepin-5-imine?
The canonical SMILES for 7-(3-fluorophenyl)-9-methoxy-N-methyl-2-pyrazin-2-yl-1-benzazepin-5-imine is C/N=c1\ccc(-c2cnccn2)nc2c(OC)cc(-c3cccc(F)c3)cc12.
What is the InChIKey of 7-(3-fluorophenyl)-9-methoxy-N-methyl-2-pyrazin-2-yl-1-benzazepin-5-imine?
The InChIKey is GGIKOAWMAVTHTE-HKOYGPOVSA-N. The full InChI is InChI=1S/C22H17FN4O/c1-24-18-6-7-19(20-13-25-8-9-26-20)27-22-17(18)11-15(12-21(22)28-2)14-4-3-5-16(23)10-14/h3-13H,1-2H3/b24-18+.
What are the key properties of 7-(3-fluorophenyl)-9-methoxy-N-methyl-2-pyrazin-2-yl-1-benzazepin-5-imine?
7-(3-fluorophenyl)-9-methoxy-N-methyl-2-pyrazin-2-yl-1-benzazepin-5-imine has a molecular weight of 372.40 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-fluorophenyl)-9-methoxy-N-methyl-2-pyrazin-2-yl-1-benzazepin-5-imine is sourced from PubChem (CID 123428652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).