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

C24H18FN3 — CID 66965081

IUPAC9-fluoro-5-naphthalen-2-yl-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine
SMILESFc1c(-c2cccnn2)ccc2c1CNCC=C2c1ccc2ccccc2c1
InChIInChI=1S/C24H18FN3/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/h1-12,14,26H,13,15H2
InChIKeyPMWXJXDELVTXLN-UHFFFAOYSA-N
MW367.43 g/mol
LogP4.97
Rot. Bonds2

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

9-fluoro-5-naphthalen-2-yl-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine (PubChem CID 66965081) has the molecular formula C24H18FN3 and a molecular weight of 367.43 g/mol. Its IUPAC name is 9-fluoro-5-naphthalen-2-yl-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine.

Molecular Properties

Compound Name9-fluoro-5-naphthalen-2-yl-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine
PubChem CID66965081
Molecular FormulaC24H18FN3
Molecular Weight367.43 g/mol
Exact Mass367.15
IUPAC Name9-fluoro-5-naphthalen-2-yl-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine
SMILESFc1c(-c2cccnn2)ccc2c1CNCC=C2c1ccc2ccccc2c1
InChIInChI=1S/C24H18FN3/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/h1-12,14,26H,13,15H2
InChIKeyPMWXJXDELVTXLN-UHFFFAOYSA-N
XLogP4.97
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-fluoro-5-(4-fluorophenyl)-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine
CID 66964504
5-naphthalen-2-yl-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine
CID 66963933
7-fluoro-5-(7-fluoronaphthalen-2-yl)-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine
CID 66964719
9-fluoro-5-naphthalen-2-yl-8-pyridazin-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 66965159
9-fluoro-5-(4-fluorophenyl)-2-methyl-8-pyridazin-3-yl-1,3-dihydro-2-benzazepine
CID 66965015
6-fluoro-5-(5-fluoronaphthalen-2-yl)-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine
CID 66964598
5-(1-benzothiophen-2-yl)-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine
CID 66963844
4-(1-benzothiophen-2-yl)-2-ethyl-8-fluoro-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline
CID 68994252
5-(3,4-difluorophenyl)-8-[6-(trifluoromethyl)pyridazin-3-yl]-2,3-dihydro-1H-2-benzazepine
CID 66964527
4-(1-benzothiophen-6-yl)-8-fluoro-2-methyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline
CID 68994313
2-(6-naphthalen-2-ylpyren-1-yl)pyridine
CID 118652991
3-pyridazin-3-yl-4-(4-pyridazin-3-ylpyridazin-3-yl)pyridazine
CID 68526226

Frequently Asked Questions

What is the IUPAC name of 9-fluoro-5-naphthalen-2-yl-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine?
The IUPAC name of 9-fluoro-5-naphthalen-2-yl-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine (CID 66965081) is 9-fluoro-5-naphthalen-2-yl-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine.
What is the SMILES notation for 9-fluoro-5-naphthalen-2-yl-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine?
The canonical SMILES for 9-fluoro-5-naphthalen-2-yl-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine is Fc1c(-c2cccnn2)ccc2c1CNCC=C2c1ccc2ccccc2c1.
What is the InChIKey of 9-fluoro-5-naphthalen-2-yl-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine?
The InChIKey is PMWXJXDELVTXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN3/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/h1-12,14,26H,13,15H2.
What are the key properties of 9-fluoro-5-naphthalen-2-yl-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine?
9-fluoro-5-naphthalen-2-yl-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine has a molecular weight of 367.43 g/mol, XLogP of 4.97, 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-dihydro-1H-2-benzazepine is sourced from PubChem (CID 66965081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).