9-fluoro-5-naphthalen-2-yl-8-pyridazin-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepine

C24H20FN3 — CID 66965159

IUPAC9-fluoro-5-naphthalen-2-yl-8-pyridazin-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepine
SMILESFc1c(-c2cccnn2)ccc2c1CNCCC2c1ccc2ccccc2c1
InChIInChI=1S/C24H20FN3/c25-24-21(23-6-3-12-27-28-23)10-9-20-19(11-13-26-15-22(20)24)18-8-7-16-4-1-2-5-17(16)14-18/h1-10,12,14,19,26H,11,13,15H2
InChIKeyPAJPQEJGTWJCFG-UHFFFAOYSA-N
MW369.44 g/mol
LogP5.06
Rot. Bonds2

About 9-fluoro-5-naphthalen-2-yl-8-pyridazin-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepine

9-fluoro-5-naphthalen-2-yl-8-pyridazin-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepine (PubChem CID 66965159) has the molecular formula C24H20FN3 and a molecular weight of 369.44 g/mol. Its IUPAC name is 9-fluoro-5-naphthalen-2-yl-8-pyridazin-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepine.

Molecular Properties

Compound Name9-fluoro-5-naphthalen-2-yl-8-pyridazin-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepine
PubChem CID66965159
Molecular FormulaC24H20FN3
Molecular Weight369.44 g/mol
Exact Mass369.16
IUPAC Name9-fluoro-5-naphthalen-2-yl-8-pyridazin-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepine
SMILESFc1c(-c2cccnn2)ccc2c1CNCCC2c1ccc2ccccc2c1
InChIInChI=1S/C24H20FN3/c25-24-21(23-6-3-12-27-28-23)10-9-20-19(11-13-26-15-22(20)24)18-8-7-16-4-1-2-5-17(16)14-18/h1-10,12,14,19,26H,11,13,15H2
InChIKeyPAJPQEJGTWJCFG-UHFFFAOYSA-N
XLogP5.06
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.44
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 9-fluoro-5-naphthalen-2-yl-8-pyridazin-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepine with MolForge

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Related Compounds

9-fluoro-8-(6-methylpyridazin-3-yl)-5-phenyl-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 66965051
9-fluoro-5-naphthalen-2-yl-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine
CID 66965081
5-(2,6-difluorophenyl)-7-fluoro-8-pyridazin-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 66965286
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
9-fluoro-5-(2-fluoro-4-methylphenyl)-8-[6-(trifluoromethyl)pyridazin-3-yl]-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 66963641
4-(1-benzothiophen-2-yl)-2-ethyl-8-fluoro-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline
CID 68994252
5-(2,4-difluorophenyl)-9-fluoro-2-methyl-8-pyridazin-3-yl-1,3,4,5-tetrahydro-2-benzazepine
CID 66963777
9-fluoro-5-(4-fluorophenyl)-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine
CID 66964504
5-(4-chlorophenyl)-8-pyridazin-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepine;2,3-dihydroxybutanedioic acid
CID 131732588
5-(2-fluorophenyl)-8-pyridazin-3-yloxy-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 66963705
4-(1-benzofuran-5-yl)-2,8-dimethyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline
CID 68996632

Frequently Asked Questions

What is the IUPAC name of 9-fluoro-5-naphthalen-2-yl-8-pyridazin-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepine?
The IUPAC name of 9-fluoro-5-naphthalen-2-yl-8-pyridazin-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepine (CID 66965159) is 9-fluoro-5-naphthalen-2-yl-8-pyridazin-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepine.
What is the SMILES notation for 9-fluoro-5-naphthalen-2-yl-8-pyridazin-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepine?
The canonical SMILES for 9-fluoro-5-naphthalen-2-yl-8-pyridazin-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepine is Fc1c(-c2cccnn2)ccc2c1CNCCC2c1ccc2ccccc2c1.
What is the InChIKey of 9-fluoro-5-naphthalen-2-yl-8-pyridazin-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepine?
The InChIKey is PAJPQEJGTWJCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3/c25-24-21(23-6-3-12-27-28-23)10-9-20-19(11-13-26-15-22(20)24)18-8-7-16-4-1-2-5-17(16)14-18/h1-10,12,14,19,26H,11,13,15H2.
What are the key properties of 9-fluoro-5-naphthalen-2-yl-8-pyridazin-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepine?
9-fluoro-5-naphthalen-2-yl-8-pyridazin-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepine has a molecular weight of 369.44 g/mol, XLogP of 5.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoro-5-naphthalen-2-yl-8-pyridazin-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepine is sourced from PubChem (CID 66965159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).