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

C21H18F3N3 — CID 66963777

IUPAC5-(2,4-difluorophenyl)-9-fluoro-2-methyl-8-pyridazin-3-yl-1,3,4,5-tetrahydro-2-benzazepine
SMILESCN1CCC(c2ccc(F)cc2F)c2ccc(-c3cccnn3)c(F)c2C1
InChIInChI=1S/C21H18F3N3/c1-27-10-8-15(16-5-4-13(22)11-19(16)23)14-6-7-17(21(24)18(14)12-27)20-3-2-9-25-26-20/h2-7,9,11,15H,8,10,12H2,1H3
InChIKeyMXSPIHPMUPHBQN-UHFFFAOYSA-N
MW369.39 g/mol
LogP4.53
Rot. Bonds2

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

5-(2,4-difluorophenyl)-9-fluoro-2-methyl-8-pyridazin-3-yl-1,3,4,5-tetrahydro-2-benzazepine (PubChem CID 66963777) has the molecular formula C21H18F3N3 and a molecular weight of 369.39 g/mol. Its IUPAC name is 5-(2,4-difluorophenyl)-9-fluoro-2-methyl-8-pyridazin-3-yl-1,3,4,5-tetrahydro-2-benzazepine.

Molecular Properties

Compound Name5-(2,4-difluorophenyl)-9-fluoro-2-methyl-8-pyridazin-3-yl-1,3,4,5-tetrahydro-2-benzazepine
PubChem CID66963777
Molecular FormulaC21H18F3N3
Molecular Weight369.39 g/mol
Exact Mass369.15
IUPAC Name5-(2,4-difluorophenyl)-9-fluoro-2-methyl-8-pyridazin-3-yl-1,3,4,5-tetrahydro-2-benzazepine
SMILESCN1CCC(c2ccc(F)cc2F)c2ccc(-c3cccnn3)c(F)c2C1
InChIInChI=1S/C21H18F3N3/c1-27-10-8-15(16-5-4-13(22)11-19(16)23)14-6-7-17(21(24)18(14)12-27)20-3-2-9-25-26-20/h2-7,9,11,15H,8,10,12H2,1H3
InChIKeyMXSPIHPMUPHBQN-UHFFFAOYSA-N
XLogP4.53
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(2,4-difluorophenyl)-9-fluoro-2-methyl-8-pyridazin-3-yl-1,3,4,5-tetrahydro-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

6-[5-(2,5-difluorophenyl)-9-fluoro-2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl]pyridazin-3-amine
CID 66965071
9-fluoro-5-(4-fluorophenyl)-2-methyl-8-(6-methylpyridazin-3-yl)-1,3,4,5-tetrahydro-2-benzazepine
CID 66964885
5-(3,5-difluorophenyl)-9-fluoro-2-methyl-8-(6-methylpyridazin-3-yl)-1,3,4,5-tetrahydro-2-benzazepine
CID 66964900
4-(1-benzothiophen-5-yl)-8-fluoro-2-methyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline
CID 68997342
4-(1-benzothiophen-6-yl)-8-fluoro-2-methyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline
CID 68994313
9-fluoro-5-(4-fluorophenyl)-2-methyl-8-pyridazin-3-yl-1,3-dihydro-2-benzazepine
CID 66965015
6-[5-(3,4-dichlorophenyl)-9-fluoro-2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl]pyridazin-3-amine
CID 66964370
5-(1-fluoronaphthalen-2-yl)-2-methyl-8-pyridazin-3-yl-1,3,4,5-tetrahydro-2-benzazepine
CID 66964285
4-(1-benzothiophen-2-yl)-2-ethyl-8-fluoro-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline
CID 68994252
9-fluoro-5-naphthalen-2-yl-8-pyridazin-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 66965159
6-[[9-fluoro-5-(2-fluorophenyl)-2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl]oxy]pyridazin-3-amine
CID 66964229
5-(2-methoxyphenoxy)-2-methyl-8-pyridazin-3-yl-1,3,4,5-tetrahydro-2-benzazepine
CID 68506660

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluorophenyl)-9-fluoro-2-methyl-8-pyridazin-3-yl-1,3,4,5-tetrahydro-2-benzazepine?
The IUPAC name of 5-(2,4-difluorophenyl)-9-fluoro-2-methyl-8-pyridazin-3-yl-1,3,4,5-tetrahydro-2-benzazepine (CID 66963777) is 5-(2,4-difluorophenyl)-9-fluoro-2-methyl-8-pyridazin-3-yl-1,3,4,5-tetrahydro-2-benzazepine.
What is the SMILES notation for 5-(2,4-difluorophenyl)-9-fluoro-2-methyl-8-pyridazin-3-yl-1,3,4,5-tetrahydro-2-benzazepine?
The canonical SMILES for 5-(2,4-difluorophenyl)-9-fluoro-2-methyl-8-pyridazin-3-yl-1,3,4,5-tetrahydro-2-benzazepine is CN1CCC(c2ccc(F)cc2F)c2ccc(-c3cccnn3)c(F)c2C1.
What is the InChIKey of 5-(2,4-difluorophenyl)-9-fluoro-2-methyl-8-pyridazin-3-yl-1,3,4,5-tetrahydro-2-benzazepine?
The InChIKey is MXSPIHPMUPHBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N3/c1-27-10-8-15(16-5-4-13(22)11-19(16)23)14-6-7-17(21(24)18(14)12-27)20-3-2-9-25-26-20/h2-7,9,11,15H,8,10,12H2,1H3.
What are the key properties of 5-(2,4-difluorophenyl)-9-fluoro-2-methyl-8-pyridazin-3-yl-1,3,4,5-tetrahydro-2-benzazepine?
5-(2,4-difluorophenyl)-9-fluoro-2-methyl-8-pyridazin-3-yl-1,3,4,5-tetrahydro-2-benzazepine has a molecular weight of 369.39 g/mol, XLogP of 4.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-difluorophenyl)-9-fluoro-2-methyl-8-pyridazin-3-yl-1,3,4,5-tetrahydro-2-benzazepine is sourced from PubChem (CID 66963777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).