5-(3,4-difluorophenyl)-9-fluoro-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine

C20H14F3N3 — CID 66964283

IUPAC5-(3,4-difluorophenyl)-9-fluoro-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine
SMILESFc1ccc(C2=CCNCc3c2ccc(-c2cccnn2)c3F)cc1F
InChIInChI=1S/C20H14F3N3/c21-17-6-3-12(10-18(17)22)13-7-9-24-11-16-14(13)4-5-15(20(16)23)19-2-1-8-25-26-19/h1-8,10,24H,9,11H2
InChIKeyPDSGIDALADGVQW-UHFFFAOYSA-N
MW353.35 g/mol
LogP4.10
Rot. Bonds2

About 5-(3,4-difluorophenyl)-9-fluoro-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine

5-(3,4-difluorophenyl)-9-fluoro-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine (PubChem CID 66964283) has the molecular formula C20H14F3N3 and a molecular weight of 353.35 g/mol. Its IUPAC name is 5-(3,4-difluorophenyl)-9-fluoro-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine.

Molecular Properties

Compound Name5-(3,4-difluorophenyl)-9-fluoro-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine
PubChem CID66964283
Molecular FormulaC20H14F3N3
Molecular Weight353.35 g/mol
Exact Mass353.11
IUPAC Name5-(3,4-difluorophenyl)-9-fluoro-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine
SMILESFc1ccc(C2=CCNCc3c2ccc(-c2cccnn2)c3F)cc1F
InChIInChI=1S/C20H14F3N3/c21-17-6-3-12(10-18(17)22)13-7-9-24-11-16-14(13)4-5-15(20(16)23)19-2-1-8-25-26-19/h1-8,10,24H,9,11H2
InChIKeyPDSGIDALADGVQW-UHFFFAOYSA-N
XLogP4.10
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(3,4-difluorophenyl)-9-fluoro-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine with MolForge

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Related Compounds

3-(4,4-bis(4-fluorophenyl)-4,5-dihydro-1H-imidazol-2-yl)pyridazine
CID 9880873
3-[6-(3,4-Difluoro-phenyl)-pyridazin-4-yl]-benzonitrile
CID 10379616
3-[6-(2,4-Difluoro-phenyl)-pyridazin-4-yl]-benzonitrile
CID 10424461
4-(4-Methylphenyl)-7-pyridazin-3-yl-1,2,3,4-tetrahydroisoquinoline
CID 122197234
5-Phenyl-3-[3-(trifluoromethyl)phenyl]pyridazine
CID 86184472
Diazaterphenyl
CID 129672178
N-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-2-(3-fluorophenyl)ethanamine
CID 28301082
7-[4-(1H-pyrazol-5-yl)phenyl]-1,2,3,4-tetrahydroisoquinoline
CID 56722647
5-(3-Fluorophenyl)-3-phenylpyridazine
CID 10467274
3-Phenyl-5-[3-(trifluoromethyl)phenyl]pyridazine
CID 10470060
5-(3,5-Difluorophenyl)-2-methyl-8-pyridazin-3-yl-1,3,4,5-tetrahydro-2-benzazepine
CID 12002484
5-(2,4-difluorophenyl)-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine
CID 16006646

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-difluorophenyl)-9-fluoro-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine?
The IUPAC name of 5-(3,4-difluorophenyl)-9-fluoro-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine (CID 66964283) is 5-(3,4-difluorophenyl)-9-fluoro-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine.
What is the SMILES notation for 5-(3,4-difluorophenyl)-9-fluoro-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine?
The canonical SMILES for 5-(3,4-difluorophenyl)-9-fluoro-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine is Fc1ccc(C2=CCNCc3c2ccc(-c2cccnn2)c3F)cc1F.
What is the InChIKey of 5-(3,4-difluorophenyl)-9-fluoro-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine?
The InChIKey is PDSGIDALADGVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N3/c21-17-6-3-12(10-18(17)22)13-7-9-24-11-16-14(13)4-5-15(20(16)23)19-2-1-8-25-26-19/h1-8,10,24H,9,11H2.
What are the key properties of 5-(3,4-difluorophenyl)-9-fluoro-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine?
5-(3,4-difluorophenyl)-9-fluoro-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine has a molecular weight of 353.35 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-difluorophenyl)-9-fluoro-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine is sourced from PubChem (CID 66964283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).