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

C21H17F2N3 — CID 66965015

IUPAC9-fluoro-5-(4-fluorophenyl)-2-methyl-8-pyridazin-3-yl-1,3-dihydro-2-benzazepine
SMILESCN1CC=C(c2ccc(F)cc2)c2ccc(-c3cccnn3)c(F)c2C1
InChIInChI=1S/C21H17F2N3/c1-26-12-10-16(14-4-6-15(22)7-5-14)17-8-9-18(21(23)19(17)13-26)20-3-2-11-24-25-20/h2-11H,12-13H2,1H3
InChIKeyKAHJFPFNICWCOK-UHFFFAOYSA-N
MW349.38 g/mol
LogP4.30
Rot. Bonds2

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

9-fluoro-5-(4-fluorophenyl)-2-methyl-8-pyridazin-3-yl-1,3-dihydro-2-benzazepine (PubChem CID 66965015) has the molecular formula C21H17F2N3 and a molecular weight of 349.38 g/mol. Its IUPAC name is 9-fluoro-5-(4-fluorophenyl)-2-methyl-8-pyridazin-3-yl-1,3-dihydro-2-benzazepine.

Molecular Properties

Compound Name9-fluoro-5-(4-fluorophenyl)-2-methyl-8-pyridazin-3-yl-1,3-dihydro-2-benzazepine
PubChem CID66965015
Molecular FormulaC21H17F2N3
Molecular Weight349.38 g/mol
Exact Mass349.14
IUPAC Name9-fluoro-5-(4-fluorophenyl)-2-methyl-8-pyridazin-3-yl-1,3-dihydro-2-benzazepine
SMILESCN1CC=C(c2ccc(F)cc2)c2ccc(-c3cccnn3)c(F)c2C1
InChIInChI=1S/C21H17F2N3/c1-26-12-10-16(14-4-6-15(22)7-5-14)17-8-9-18(21(23)19(17)13-26)20-3-2-11-24-25-20/h2-11H,12-13H2,1H3
InChIKeyKAHJFPFNICWCOK-UHFFFAOYSA-N
XLogP4.30
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.38
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-fluoro-5-(4-fluorophenyl)-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine
CID 66964504
5-(2,4-difluorophenyl)-9-fluoro-2-methyl-8-pyridazin-3-yl-1,3,4,5-tetrahydro-2-benzazepine
CID 66963777
9-fluoro-5-naphthalen-2-yl-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine
CID 66965081
8-bromo-5-(4-fluorophenyl)-2-methyl-1,3-dihydro-2-benzazepine
CID 66965181
5-(1-benzothiophen-2-yl)-2-methyl-8-pyridazin-3-yl-1,3-dihydro-2-benzazepine
CID 66963822
4-(1-benzothiophen-6-yl)-8-fluoro-2-methyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline
CID 68994313
4-(1-benzothiophen-5-yl)-8-fluoro-2-methyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline
CID 68997342
7-fluoro-5-(7-fluoronaphthalen-2-yl)-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine
CID 66964719
9-fluoro-5-(4-fluorophenyl)-2-methyl-8-(6-methylpyridazin-3-yl)-1,3,4,5-tetrahydro-2-benzazepine
CID 66964885
5-(2,4-difluorophenyl)-2-methyl-8-[6-(trifluoromethyl)pyridazin-3-yl]-1,3-dihydro-2-benzazepine
CID 66964603
3-fluoro-4-methyl-5-pyridazin-3-ylbenzamide
CID 145282408
4-(1-benzothiophen-2-yl)-2-ethyl-8-fluoro-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline
CID 68994252

Frequently Asked Questions

What is the IUPAC name of 9-fluoro-5-(4-fluorophenyl)-2-methyl-8-pyridazin-3-yl-1,3-dihydro-2-benzazepine?
The IUPAC name of 9-fluoro-5-(4-fluorophenyl)-2-methyl-8-pyridazin-3-yl-1,3-dihydro-2-benzazepine (CID 66965015) is 9-fluoro-5-(4-fluorophenyl)-2-methyl-8-pyridazin-3-yl-1,3-dihydro-2-benzazepine.
What is the SMILES notation for 9-fluoro-5-(4-fluorophenyl)-2-methyl-8-pyridazin-3-yl-1,3-dihydro-2-benzazepine?
The canonical SMILES for 9-fluoro-5-(4-fluorophenyl)-2-methyl-8-pyridazin-3-yl-1,3-dihydro-2-benzazepine is CN1CC=C(c2ccc(F)cc2)c2ccc(-c3cccnn3)c(F)c2C1.
What is the InChIKey of 9-fluoro-5-(4-fluorophenyl)-2-methyl-8-pyridazin-3-yl-1,3-dihydro-2-benzazepine?
The InChIKey is KAHJFPFNICWCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N3/c1-26-12-10-16(14-4-6-15(22)7-5-14)17-8-9-18(21(23)19(17)13-26)20-3-2-11-24-25-20/h2-11H,12-13H2,1H3.
What are the key properties of 9-fluoro-5-(4-fluorophenyl)-2-methyl-8-pyridazin-3-yl-1,3-dihydro-2-benzazepine?
9-fluoro-5-(4-fluorophenyl)-2-methyl-8-pyridazin-3-yl-1,3-dihydro-2-benzazepine has a molecular weight of 349.38 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoro-5-(4-fluorophenyl)-2-methyl-8-pyridazin-3-yl-1,3-dihydro-2-benzazepine is sourced from PubChem (CID 66965015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).