4-sulfanylidene-3,5-dihydropyrazolo[5,4-c][1]benzazepin-10-one

C11H7N3OS — CID 142637910

IUPAC4-sulfanylidene-3,5-dihydropyrazolo[5,4-c][1]benzazepin-10-one
SMILESO=c1c2ccccc2[nH]c(=S)c2[nH]ncc12
InChIInChI=1S/C11H7N3OS/c15-10-6-3-1-2-4-8(6)13-11(16)9-7(10)5-12-14-9/h1-5H,(H,12,14)(H,13,16)
InChIKeyUHEHCKJZXWMAJM-UHFFFAOYSA-N
MW229.26 g/mol
LogP2.13
Rot. Bonds

About 4-sulfanylidene-3,5-dihydropyrazolo[5,4-c][1]benzazepin-10-one

4-sulfanylidene-3,5-dihydropyrazolo[5,4-c][1]benzazepin-10-one (PubChem CID 142637910) has the molecular formula C11H7N3OS and a molecular weight of 229.26 g/mol. Its IUPAC name is 4-sulfanylidene-3,5-dihydropyrazolo[5,4-c][1]benzazepin-10-one.

Molecular Properties

Compound Name4-sulfanylidene-3,5-dihydropyrazolo[5,4-c][1]benzazepin-10-one
PubChem CID142637910
Molecular FormulaC11H7N3OS
Molecular Weight229.26 g/mol
Exact Mass229.03
IUPAC Name4-sulfanylidene-3,5-dihydropyrazolo[5,4-c][1]benzazepin-10-one
SMILESO=c1c2ccccc2[nH]c(=S)c2[nH]ncc12
InChIInChI=1S/C11H7N3OS/c15-10-6-3-1-2-4-8(6)13-11(16)9-7(10)5-12-14-9/h1-5H,(H,12,14)(H,13,16)
InChIKeyUHEHCKJZXWMAJM-UHFFFAOYSA-N
XLogP2.13
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 4-sulfanylidene-3,5-dihydropyrazolo[5,4-c][1]benzazepin-10-one 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

10H-acridin-9-one
CID 22753806
2,5-dihydropyridazino[4,5-b]quinoline-1,10-dione
CID 22321575
10H-acridin-9-one;ethane
CID 91525380
5,12-dihydroquinolino[2,3-b]acridine-7,14-dione;ethane
CID 90939428
6,13-diazatetracyclo[12.4.0.02,5.07,12]octadeca-1(18),2(5),7,9,11,14,16-heptaene-3,4-dione
CID 51038700
1,5-dihydropyrazolo[4,5-c][1,5]naphthyridin-4-one
CID 136995246
9-methoxy-6-sulfanylidene-5H-indeno[1,2-c]quinolin-11-one
CID 52951043
3,4-dichloro-10H-acridin-9-one
CID 138629142
3,4-dihydrofuro[3,4-b]quinoline-1,9-dione
CID 14867937
4-hydroxy-10H-benzo[b][1,7]naphthyridin-5-one
CID 91356808
10-oxo-5H-benzo[b][1,6]naphthyridine-3-carboxylic acid
CID 20811575
2-methyl-4H-[1,3]oxazolo[5,4-b]quinolin-9-one
CID 102596896

Frequently Asked Questions

What is the IUPAC name of 4-sulfanylidene-3,5-dihydropyrazolo[5,4-c][1]benzazepin-10-one?
The IUPAC name of 4-sulfanylidene-3,5-dihydropyrazolo[5,4-c][1]benzazepin-10-one (CID 142637910) is 4-sulfanylidene-3,5-dihydropyrazolo[5,4-c][1]benzazepin-10-one.
What is the SMILES notation for 4-sulfanylidene-3,5-dihydropyrazolo[5,4-c][1]benzazepin-10-one?
The canonical SMILES for 4-sulfanylidene-3,5-dihydropyrazolo[5,4-c][1]benzazepin-10-one is O=c1c2ccccc2[nH]c(=S)c2[nH]ncc12.
What is the InChIKey of 4-sulfanylidene-3,5-dihydropyrazolo[5,4-c][1]benzazepin-10-one?
The InChIKey is UHEHCKJZXWMAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3OS/c15-10-6-3-1-2-4-8(6)13-11(16)9-7(10)5-12-14-9/h1-5H,(H,12,14)(H,13,16).
What are the key properties of 4-sulfanylidene-3,5-dihydropyrazolo[5,4-c][1]benzazepin-10-one?
4-sulfanylidene-3,5-dihydropyrazolo[5,4-c][1]benzazepin-10-one has a molecular weight of 229.26 g/mol, XLogP of 2.13, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-sulfanylidene-3,5-dihydropyrazolo[5,4-c][1]benzazepin-10-one is sourced from PubChem (CID 142637910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).