6-[5-(1-fluoronaphthalen-2-yl)-2-methyl-1,3-dihydro-2-benzazepin-8-yl]pyridazin-3-amine

C25H21FN4 — CID 66965132

IUPAC6-[5-(1-fluoronaphthalen-2-yl)-2-methyl-1,3-dihydro-2-benzazepin-8-yl]pyridazin-3-amine
SMILESCN1CC=C(c2ccc3ccccc3c2F)c2ccc(-c3ccc(N)nn3)cc2C1
InChIInChI=1S/C25H21FN4/c1-30-13-12-21(22-9-6-16-4-2-3-5-20(16)25(22)26)19-8-7-17(14-18(19)15-30)23-10-11-24(27)29-28-23/h2-12,14H,13,15H2,1H3,(H2,27,29)
InChIKeyBSCKTIZBGXYCRQ-UHFFFAOYSA-N
MW396.47 g/mol
LogP4.90
Rot. Bonds2

About 6-[5-(1-fluoronaphthalen-2-yl)-2-methyl-1,3-dihydro-2-benzazepin-8-yl]pyridazin-3-amine

6-[5-(1-fluoronaphthalen-2-yl)-2-methyl-1,3-dihydro-2-benzazepin-8-yl]pyridazin-3-amine (PubChem CID 66965132) has the molecular formula C25H21FN4 and a molecular weight of 396.47 g/mol. Its IUPAC name is 6-[5-(1-fluoronaphthalen-2-yl)-2-methyl-1,3-dihydro-2-benzazepin-8-yl]pyridazin-3-amine.

Molecular Properties

Compound Name6-[5-(1-fluoronaphthalen-2-yl)-2-methyl-1,3-dihydro-2-benzazepin-8-yl]pyridazin-3-amine
PubChem CID66965132
Molecular FormulaC25H21FN4
Molecular Weight396.47 g/mol
Exact Mass396.18
IUPAC Name6-[5-(1-fluoronaphthalen-2-yl)-2-methyl-1,3-dihydro-2-benzazepin-8-yl]pyridazin-3-amine
SMILESCN1CC=C(c2ccc3ccccc3c2F)c2ccc(-c3ccc(N)nn3)cc2C1
InChIInChI=1S/C25H21FN4/c1-30-13-12-21(22-9-6-16-4-2-3-5-20(16)25(22)26)19-8-7-17(14-18(19)15-30)23-10-11-24(27)29-28-23/h2-12,14H,13,15H2,1H3,(H2,27,29)
InChIKeyBSCKTIZBGXYCRQ-UHFFFAOYSA-N
XLogP4.90
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[5-(1-fluoronaphthalen-2-yl)-2-methyl-1,3-dihydro-2-benzazepin-8-yl]pyridazin-3-amine 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

5-(2,4-difluorophenyl)-2-methyl-8-[6-(trifluoromethyl)pyridazin-3-yl]-1,3-dihydro-2-benzazepine
CID 66964603
5-(1-benzothiophen-2-yl)-2-methyl-8-pyridazin-3-yl-1,3-dihydro-2-benzazepine
CID 66963822
5-(1-fluoronaphthalen-2-yl)-2-methyl-8-pyridazin-3-yl-1,3,4,5-tetrahydro-2-benzazepine
CID 66964285
6-[4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]pyridazin-3-amine
CID 68995611
2-methyl-7-(6-methylpyridazin-3-yl)-4-naphthalen-2-yl-3,4-dihydro-1H-isoquinoline
CID 68996070
6-(4-fluorophenyl)pyridazin-3-amine
CID 11030588
9-fluoro-5-(4-fluorophenyl)-2-methyl-8-pyridazin-3-yl-1,3-dihydro-2-benzazepine
CID 66965015
6-[5-(2,6-difluorophenyl)-7-fluoro-2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl]pyridazin-3-amine
CID 66964711
6-[5-(1-benzothiophen-2-yl)-2,3,4,5-tetrahydro-1H-2-benzazepin-8-yl]pyridazin-3-amine
CID 66964886
[6-[5-(2-fluorophenyl)-2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl]pyridazin-3-yl]methanol
CID 66964321
5-(6-aminopyridazin-3-yl)-1,3,3-trimethylindol-2-one
CID 82487605
2-[4-[1-[4-(1-fluoronaphthalen-2-yl)phenyl]ethyl]piperazin-1-yl]ethanol
CID 167935408

Frequently Asked Questions

What is the IUPAC name of 6-[5-(1-fluoronaphthalen-2-yl)-2-methyl-1,3-dihydro-2-benzazepin-8-yl]pyridazin-3-amine?
The IUPAC name of 6-[5-(1-fluoronaphthalen-2-yl)-2-methyl-1,3-dihydro-2-benzazepin-8-yl]pyridazin-3-amine (CID 66965132) is 6-[5-(1-fluoronaphthalen-2-yl)-2-methyl-1,3-dihydro-2-benzazepin-8-yl]pyridazin-3-amine.
What is the SMILES notation for 6-[5-(1-fluoronaphthalen-2-yl)-2-methyl-1,3-dihydro-2-benzazepin-8-yl]pyridazin-3-amine?
The canonical SMILES for 6-[5-(1-fluoronaphthalen-2-yl)-2-methyl-1,3-dihydro-2-benzazepin-8-yl]pyridazin-3-amine is CN1CC=C(c2ccc3ccccc3c2F)c2ccc(-c3ccc(N)nn3)cc2C1.
What is the InChIKey of 6-[5-(1-fluoronaphthalen-2-yl)-2-methyl-1,3-dihydro-2-benzazepin-8-yl]pyridazin-3-amine?
The InChIKey is BSCKTIZBGXYCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN4/c1-30-13-12-21(22-9-6-16-4-2-3-5-20(16)25(22)26)19-8-7-17(14-18(19)15-30)23-10-11-24(27)29-28-23/h2-12,14H,13,15H2,1H3,(H2,27,29).
What are the key properties of 6-[5-(1-fluoronaphthalen-2-yl)-2-methyl-1,3-dihydro-2-benzazepin-8-yl]pyridazin-3-amine?
6-[5-(1-fluoronaphthalen-2-yl)-2-methyl-1,3-dihydro-2-benzazepin-8-yl]pyridazin-3-amine has a molecular weight of 396.47 g/mol, XLogP of 4.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(1-fluoronaphthalen-2-yl)-2-methyl-1,3-dihydro-2-benzazepin-8-yl]pyridazin-3-amine is sourced from PubChem (CID 66965132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).