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

C23H19N3S — CID 66963822

IUPAC5-(1-benzothiophen-2-yl)-2-methyl-8-pyridazin-3-yl-1,3-dihydro-2-benzazepine
SMILESCN1CC=C(c2cc3ccccc3s2)c2ccc(-c3cccnn3)cc2C1
InChIInChI=1S/C23H19N3S/c1-26-12-10-20(23-14-17-5-2-3-7-22(17)27-23)19-9-8-16(13-18(19)15-26)21-6-4-11-24-25-21/h2-11,13-14H,12,15H2,1H3
InChIKeyYXGDMTKCRKJHLN-UHFFFAOYSA-N
MW369.49 g/mol
LogP5.24
Rot. Bonds2

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

5-(1-benzothiophen-2-yl)-2-methyl-8-pyridazin-3-yl-1,3-dihydro-2-benzazepine (PubChem CID 66963822) has the molecular formula C23H19N3S and a molecular weight of 369.49 g/mol. Its IUPAC name is 5-(1-benzothiophen-2-yl)-2-methyl-8-pyridazin-3-yl-1,3-dihydro-2-benzazepine.

Molecular Properties

Compound Name5-(1-benzothiophen-2-yl)-2-methyl-8-pyridazin-3-yl-1,3-dihydro-2-benzazepine
PubChem CID66963822
Molecular FormulaC23H19N3S
Molecular Weight369.49 g/mol
Exact Mass369.13
IUPAC Name5-(1-benzothiophen-2-yl)-2-methyl-8-pyridazin-3-yl-1,3-dihydro-2-benzazepine
SMILESCN1CC=C(c2cc3ccccc3s2)c2ccc(-c3cccnn3)cc2C1
InChIInChI=1S/C23H19N3S/c1-26-12-10-20(23-14-17-5-2-3-7-22(17)27-23)19-9-8-16(13-18(19)15-26)21-6-4-11-24-25-21/h2-11,13-14H,12,15H2,1H3
InChIKeyYXGDMTKCRKJHLN-UHFFFAOYSA-N
XLogP5.24
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.49
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(1-benzothiophen-2-yl)-2-methyl-8-pyridazin-3-yl-1,3-dihydro-2-benzazepine with MolForge

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Related Compounds

5-(1-benzothiophen-2-yl)-8-pyridazin-3-yl-2,3-dihydro-1H-2-benzazepine
CID 66963844
6-[5-(1-fluoronaphthalen-2-yl)-2-methyl-1,3-dihydro-2-benzazepin-8-yl]pyridazin-3-amine
CID 66965132
9-fluoro-5-(4-fluorophenyl)-2-methyl-8-pyridazin-3-yl-1,3-dihydro-2-benzazepine
CID 66965015
2-methyl-4-(1-methylindol-2-yl)-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline
CID 68997686
2-(1-benzothiophen-2-yl)pyridine;methanol
CID 143810360
5-(1-fluoronaphthalen-2-yl)-2-methyl-8-pyridazin-3-yl-1,3,4,5-tetrahydro-2-benzazepine
CID 66964285
6-(2-methyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinolin-4-yl)quinoline
CID 68994315
3-(1-benzothiophen-2-yl)-4-methyl-1H-1,2,4-triazole-5-thione
CID 67070517
5-(2-methoxyphenoxy)-2-methyl-8-pyridazin-3-yl-1,3,4,5-tetrahydro-2-benzazepine
CID 68506660
4-(1-benzothiophen-2-yl)-2-methyl-7-pyrimidin-4-yl-3,4-dihydro-1H-isoquinoline
CID 11602891
4-(1-benzothiophen-2-yl)-2-ethyl-8-fluoro-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline
CID 68994252
4-(1-benzofuran-5-yl)-2-methyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline
CID 68995649

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzothiophen-2-yl)-2-methyl-8-pyridazin-3-yl-1,3-dihydro-2-benzazepine?
The IUPAC name of 5-(1-benzothiophen-2-yl)-2-methyl-8-pyridazin-3-yl-1,3-dihydro-2-benzazepine (CID 66963822) is 5-(1-benzothiophen-2-yl)-2-methyl-8-pyridazin-3-yl-1,3-dihydro-2-benzazepine.
What is the SMILES notation for 5-(1-benzothiophen-2-yl)-2-methyl-8-pyridazin-3-yl-1,3-dihydro-2-benzazepine?
The canonical SMILES for 5-(1-benzothiophen-2-yl)-2-methyl-8-pyridazin-3-yl-1,3-dihydro-2-benzazepine is CN1CC=C(c2cc3ccccc3s2)c2ccc(-c3cccnn3)cc2C1.
What is the InChIKey of 5-(1-benzothiophen-2-yl)-2-methyl-8-pyridazin-3-yl-1,3-dihydro-2-benzazepine?
The InChIKey is YXGDMTKCRKJHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3S/c1-26-12-10-20(23-14-17-5-2-3-7-22(17)27-23)19-9-8-16(13-18(19)15-26)21-6-4-11-24-25-21/h2-11,13-14H,12,15H2,1H3.
What are the key properties of 5-(1-benzothiophen-2-yl)-2-methyl-8-pyridazin-3-yl-1,3-dihydro-2-benzazepine?
5-(1-benzothiophen-2-yl)-2-methyl-8-pyridazin-3-yl-1,3-dihydro-2-benzazepine has a molecular weight of 369.49 g/mol, XLogP of 5.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzothiophen-2-yl)-2-methyl-8-pyridazin-3-yl-1,3-dihydro-2-benzazepine is sourced from PubChem (CID 66963822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).