N-(6-pyrazol-1-yl-3-pyridinyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide

C21H16N4OS — CID 55560720

IUPACN-(6-pyrazol-1-yl-3-pyridinyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide
SMILESO=C(Nc1ccc(-n2cccn2)nc1)c1cc2c(s1)-c1ccccc1CC2
InChIInChI=1S/C21H16N4OS/c26-21(24-16-8-9-19(22-13-16)25-11-3-10-23-25)18-12-15-7-6-14-4-1-2-5-17(14)20(15)27-18/h1-5,8-13H,6-7H2,(H,24,26)
InChIKeyMWTRPBCGFOUHNS-UHFFFAOYSA-N
MW372.45 g/mol
LogP4.35
Rot. Bonds3

About N-(6-pyrazol-1-yl-3-pyridinyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide

N-(6-pyrazol-1-yl-3-pyridinyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide (PubChem CID 55560720) has the molecular formula C21H16N4OS and a molecular weight of 372.45 g/mol. Its IUPAC name is N-(6-pyrazol-1-yl-3-pyridinyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide.

Molecular Properties

Compound NameN-(6-pyrazol-1-yl-3-pyridinyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide
PubChem CID55560720
Molecular FormulaC21H16N4OS
Molecular Weight372.45 g/mol
Exact Mass372.10
IUPAC NameN-(6-pyrazol-1-yl-3-pyridinyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide
SMILESO=C(Nc1ccc(-n2cccn2)nc1)c1cc2c(s1)-c1ccccc1CC2
InChIInChI=1S/C21H16N4OS/c26-21(24-16-8-9-19(22-13-16)25-11-3-10-23-25)18-12-15-7-6-14-4-1-2-5-17(14)20(15)27-18/h1-5,8-13H,6-7H2,(H,24,26)
InChIKeyMWTRPBCGFOUHNS-UHFFFAOYSA-N
XLogP4.35
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(6-pyrazol-1-yl-3-pyridinyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide 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

N-(4-acetamidophenyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide
CID 8701361
N-(4-pyrimidin-2-yloxyphenyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide
CID 55825894
N-(3-hydroxy-2-pyridinyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide
CID 18109304
N-(4-methyl-2-pyridinyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide
CID 35027260
N-[4-(pyrrolidine-1-carbonyl)phenyl]-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide
CID 46533370
N-(6-pyrazol-1-yl-3-pyridinyl)acetamide
CID 47153389
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide
CID 112761446
5-iodo-N-(6-pyrazol-1-yl-3-pyridinyl)thiophene-3-carboxamide
CID 78948608
N-methyl-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide
CID 1490444
4,5-dihydrobenzo[g][1]benzothiole-2-carbohydrazide
CID 2826309
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide
CID 42490965
2-bromo-N-(6-pyrazol-1-yl-3-pyridinyl)pyridine-4-carboxamide
CID 103754177

Frequently Asked Questions

What is the IUPAC name of N-(6-pyrazol-1-yl-3-pyridinyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide?
The IUPAC name of N-(6-pyrazol-1-yl-3-pyridinyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide (CID 55560720) is N-(6-pyrazol-1-yl-3-pyridinyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide.
What is the SMILES notation for N-(6-pyrazol-1-yl-3-pyridinyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide?
The canonical SMILES for N-(6-pyrazol-1-yl-3-pyridinyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide is O=C(Nc1ccc(-n2cccn2)nc1)c1cc2c(s1)-c1ccccc1CC2.
What is the InChIKey of N-(6-pyrazol-1-yl-3-pyridinyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide?
The InChIKey is MWTRPBCGFOUHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4OS/c26-21(24-16-8-9-19(22-13-16)25-11-3-10-23-25)18-12-15-7-6-14-4-1-2-5-17(14)20(15)27-18/h1-5,8-13H,6-7H2,(H,24,26).
What are the key properties of N-(6-pyrazol-1-yl-3-pyridinyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide?
N-(6-pyrazol-1-yl-3-pyridinyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide has a molecular weight of 372.45 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-pyrazol-1-yl-3-pyridinyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide is sourced from PubChem (CID 55560720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).