9-fluoro-8-(6-methylpyridazin-3-yl)-5-phenyl-2,3,4,5-tetrahydro-1H-2-benzazepine

C21H20FN3 — CID 66965051

IUPAC9-fluoro-8-(6-methylpyridazin-3-yl)-5-phenyl-2,3,4,5-tetrahydro-1H-2-benzazepine
SMILESCc1ccc(-c2ccc3c(c2F)CNCCC3c2ccccc2)nn1
InChIInChI=1S/C21H20FN3/c1-14-7-10-20(25-24-14)18-9-8-17-16(15-5-3-2-4-6-15)11-12-23-13-19(17)21(18)22/h2-10,16,23H,11-13H2,1H3
InChIKeyFQNLBRNNTRBUEK-UHFFFAOYSA-N
MW333.41 g/mol
LogP4.22
Rot. Bonds2

About 9-fluoro-8-(6-methylpyridazin-3-yl)-5-phenyl-2,3,4,5-tetrahydro-1H-2-benzazepine

9-fluoro-8-(6-methylpyridazin-3-yl)-5-phenyl-2,3,4,5-tetrahydro-1H-2-benzazepine (PubChem CID 66965051) has the molecular formula C21H20FN3 and a molecular weight of 333.41 g/mol. Its IUPAC name is 9-fluoro-8-(6-methylpyridazin-3-yl)-5-phenyl-2,3,4,5-tetrahydro-1H-2-benzazepine.

Molecular Properties

Compound Name9-fluoro-8-(6-methylpyridazin-3-yl)-5-phenyl-2,3,4,5-tetrahydro-1H-2-benzazepine
PubChem CID66965051
Molecular FormulaC21H20FN3
Molecular Weight333.41 g/mol
Exact Mass333.16
IUPAC Name9-fluoro-8-(6-methylpyridazin-3-yl)-5-phenyl-2,3,4,5-tetrahydro-1H-2-benzazepine
SMILESCc1ccc(-c2ccc3c(c2F)CNCCC3c2ccccc2)nn1
InChIInChI=1S/C21H20FN3/c1-14-7-10-20(25-24-14)18-9-8-17-16(15-5-3-2-4-6-15)11-12-23-13-19(17)21(18)22/h2-10,16,23H,11-13H2,1H3
InChIKeyFQNLBRNNTRBUEK-UHFFFAOYSA-N
XLogP4.22
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 9-fluoro-8-(6-methylpyridazin-3-yl)-5-phenyl-2,3,4,5-tetrahydro-1H-2-benzazepine with MolForge

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Related Compounds

9-fluoro-5-(4-fluorophenyl)-2-methyl-8-(6-methylpyridazin-3-yl)-1,3,4,5-tetrahydro-2-benzazepine
CID 66964885
9-fluoro-5-naphthalen-2-yl-8-pyridazin-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 66965159
9-fluoro-5-(2-fluoro-4-methylphenyl)-8-[6-(trifluoromethyl)pyridazin-3-yl]-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 66963641
5-(3,5-difluorophenyl)-9-fluoro-2-methyl-8-(6-methylpyridazin-3-yl)-1,3,4,5-tetrahydro-2-benzazepine
CID 66964900
9-fluoro-5-(2-fluorophenyl)-8-(6-methylpyridazin-3-yl)oxy-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 66964898
5-(2,3-difluorophenyl)-8-(6-methylpyridazin-3-yl)-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 66964918
3-(2,3-difluoro-4-methylphenyl)-6-methylpyridazine
CID 20663232
4-(4-methylphenyl)-7-(6-methylpyridazin-3-yl)-1,2,3,4-tetrahydroquinoline
CID 66789935
7-fluoro-5-(4-fluorophenyl)-2-methyl-8-(6-methylpyridazin-3-yl)-1,3,4,5-tetrahydro-2-benzazepine
CID 66964677
(4R)-2-chloro-4-phenyl-5,6,7,8-tetrahydro-4H-thieno[2,3-c]azepine
CID 155698372
6-[5-(3,4-dichlorophenyl)-9-fluoro-2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl]pyridazin-3-amine
CID 66964370
3-[2,3-difluoro-4-[2-(4-methylcyclohexyl)ethyl]phenyl]-6-methylpyridazine
CID 139778526

Frequently Asked Questions

What is the IUPAC name of 9-fluoro-8-(6-methylpyridazin-3-yl)-5-phenyl-2,3,4,5-tetrahydro-1H-2-benzazepine?
The IUPAC name of 9-fluoro-8-(6-methylpyridazin-3-yl)-5-phenyl-2,3,4,5-tetrahydro-1H-2-benzazepine (CID 66965051) is 9-fluoro-8-(6-methylpyridazin-3-yl)-5-phenyl-2,3,4,5-tetrahydro-1H-2-benzazepine.
What is the SMILES notation for 9-fluoro-8-(6-methylpyridazin-3-yl)-5-phenyl-2,3,4,5-tetrahydro-1H-2-benzazepine?
The canonical SMILES for 9-fluoro-8-(6-methylpyridazin-3-yl)-5-phenyl-2,3,4,5-tetrahydro-1H-2-benzazepine is Cc1ccc(-c2ccc3c(c2F)CNCCC3c2ccccc2)nn1.
What is the InChIKey of 9-fluoro-8-(6-methylpyridazin-3-yl)-5-phenyl-2,3,4,5-tetrahydro-1H-2-benzazepine?
The InChIKey is FQNLBRNNTRBUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3/c1-14-7-10-20(25-24-14)18-9-8-17-16(15-5-3-2-4-6-15)11-12-23-13-19(17)21(18)22/h2-10,16,23H,11-13H2,1H3.
What are the key properties of 9-fluoro-8-(6-methylpyridazin-3-yl)-5-phenyl-2,3,4,5-tetrahydro-1H-2-benzazepine?
9-fluoro-8-(6-methylpyridazin-3-yl)-5-phenyl-2,3,4,5-tetrahydro-1H-2-benzazepine has a molecular weight of 333.41 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoro-8-(6-methylpyridazin-3-yl)-5-phenyl-2,3,4,5-tetrahydro-1H-2-benzazepine is sourced from PubChem (CID 66965051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).