5-(1-benzothiophen-2-yl)-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine

C22H17N3S — CID 66963844

IUPAC5-(1-benzothiophen-2-yl)-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine
SMILESC1=C(c2cc3ccccc3s2)c2ccc(-c3cccnn3)cc2CNC1
InChIInChI=1S/C22H17N3S/c1-2-6-21-16(4-1)13-22(26-21)19-9-11-23-14-17-12-15(7-8-18(17)19)20-5-3-10-24-25-20/h1-10,12-13,23H,11,14H2
InChIKeyAUCGZDCEIYGEGZ-UHFFFAOYSA-N
MW355.47 g/mol
LogP4.89
Rot. Bonds2

About 5-(1-benzothiophen-2-yl)-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine

5-(1-benzothiophen-2-yl)-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine (PubChem CID 66963844) has the molecular formula C22H17N3S and a molecular weight of 355.47 g/mol. Its IUPAC name is 5-(1-benzothiophen-2-yl)-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine.

Molecular Properties

Compound Name5-(1-benzothiophen-2-yl)-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine
PubChem CID66963844
Molecular FormulaC22H17N3S
Molecular Weight355.47 g/mol
Exact Mass355.11
IUPAC Name5-(1-benzothiophen-2-yl)-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine
SMILESC1=C(c2cc3ccccc3s2)c2ccc(-c3cccnn3)cc2CNC1
InChIInChI=1S/C22H17N3S/c1-2-6-21-16(4-1)13-22(26-21)19-9-11-23-14-17-12-15(7-8-18(17)19)20-5-3-10-24-25-20/h1-10,12-13,23H,11,14H2
InChIKeyAUCGZDCEIYGEGZ-UHFFFAOYSA-N
XLogP4.89
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.47
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(1-benzothiophen-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

5-naphthalen-2-yl-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine
CID 66963933
5-(1-benzothiophen-2-yl)-2-methyl-8-pyridazin-3-yl-1,3-dihydro-2-benzazepine
CID 66963822
9-fluoro-5-naphthalen-2-yl-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine
CID 66965081
7-fluoro-5-(7-fluoronaphthalen-2-yl)-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine
CID 66964719
9-fluoro-5-(4-fluorophenyl)-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine
CID 66964504
4-(1-benzothiophen-2-yl)-1,2,3,6-tetrahydropyridine;hydrochloride
CID 22100972
5-pyridazin-3-yl-2,3-dihydro-1H-indole
CID 160964967
5-(3,4-difluorophenyl)-8-[6-(trifluoromethyl)pyridazin-3-yl]-2,3-dihydro-1H-2-benzazepine
CID 66964527
6-[5-(1-benzothiophen-2-yl)-2,3,4,5-tetrahydro-1H-2-benzazepin-8-yl]pyridazin-3-amine
CID 66964886
2-(22-naphthalen-2-yl-8-heptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2,4(12),6(11),7,9,13,16,18(26),19(24),20,22-dodecaenyl)-1-benzothiophene
CID 59413455
2-(1-benzothiophen-2-yl)pyridine;methanol
CID 143810360
2-[4-(1-benzothiophen-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 146183527

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzothiophen-2-yl)-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine?
The IUPAC name of 5-(1-benzothiophen-2-yl)-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine (CID 66963844) is 5-(1-benzothiophen-2-yl)-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine.
What is the SMILES notation for 5-(1-benzothiophen-2-yl)-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine?
The canonical SMILES for 5-(1-benzothiophen-2-yl)-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine is C1=C(c2cc3ccccc3s2)c2ccc(-c3cccnn3)cc2CNC1.
What is the InChIKey of 5-(1-benzothiophen-2-yl)-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine?
The InChIKey is AUCGZDCEIYGEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3S/c1-2-6-21-16(4-1)13-22(26-21)19-9-11-23-14-17-12-15(7-8-18(17)19)20-5-3-10-24-25-20/h1-10,12-13,23H,11,14H2.
What are the key properties of 5-(1-benzothiophen-2-yl)-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine?
5-(1-benzothiophen-2-yl)-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine has a molecular weight of 355.47 g/mol, XLogP of 4.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzothiophen-2-yl)-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine is sourced from PubChem (CID 66963844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).