4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-bromo-N-ethylbenzamide

C24H21BrN6O2S — CID 59011382

IUPAC4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-bromo-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(-n2nc(-c3cccnc3)c3c2-c2sc(NC(C)=O)nc2CC3)c(Br)c1
InChIInChI=1S/C24H21BrN6O2S/c1-3-27-23(33)14-6-9-19(17(25)11-14)31-21-16(20(30-31)15-5-4-10-26-12-15)7-8-18-22(21)34-24(29-18)28-13(2)32/h4-6,9-12H,3,7-8H2,1-2H3,(H,27,33)(H,28,29,32)
InChIKeyGDNDKOFWWGPUAR-UHFFFAOYSA-N
MW537.44 g/mol
LogP4.63
Rot. Bonds5

About 4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-bromo-N-ethylbenzamide

4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-bromo-N-ethylbenzamide (PubChem CID 59011382) has the molecular formula C24H21BrN6O2S and a molecular weight of 537.44 g/mol. Its IUPAC name is 4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-bromo-N-ethylbenzamide.

Molecular Properties

Compound Name4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-bromo-N-ethylbenzamide
PubChem CID59011382
Molecular FormulaC24H21BrN6O2S
Molecular Weight537.44 g/mol
Exact Mass536.06
IUPAC Name4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-bromo-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(-n2nc(-c3cccnc3)c3c2-c2sc(NC(C)=O)nc2CC3)c(Br)c1
InChIInChI=1S/C24H21BrN6O2S/c1-3-27-23(33)14-6-9-19(17(25)11-14)31-21-16(20(30-31)15-5-4-10-26-12-15)7-8-18-22(21)34-24(29-18)28-13(2)32/h4-6,9-12H,3,7-8H2,1-2H3,(H,27,33)(H,28,29,32)
InChIKeyGDNDKOFWWGPUAR-UHFFFAOYSA-N
XLogP4.63
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.44
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-bromo-N-ethylbenzamide 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

4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-bromo-N-methoxybenzamide
CID 59011410
4-(7-aminooxy-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-bromo-N-ethylbenzamide;formaldehyde
CID 143550872
4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-ethyl-N,N-dimethylbenzamide
CID 24860248
methyl N-[1-[2-bromo-4-[ethyl(methyl)carbamoyl]phenyl]-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]carbamate
CID 59011336
4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-chloro-N-methylbenzamide
CID 59255668
4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-N-[2-(dimethylamino)ethyl]-3-(fluoromethyl)benzamide
CID 91347848
N-[1-[2-bromo-5-(methoxymethyl)phenyl]-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide
CID 24858383
4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-N-[(1R,2R)-2-aminocyclopropyl]-3-chlorobenzamide
CID 59255663
3-bromo-4-[7-(methylamino)-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl]benzoic acid;methyl formate
CID 143550868
methyl N-[1-[2-bromo-4-[methyl-(1-methylpiperidin-4-yl)carbamoyl]phenyl]-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]carbamate
CID 59011413
N-[1-(4-chlorophenyl)-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide
CID 58639706
N-[1-(2-methyl-1,3-dihydroisoindol-5-yl)-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide
CID 59703241

Frequently Asked Questions

What is the IUPAC name of 4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-bromo-N-ethylbenzamide?
The IUPAC name of 4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-bromo-N-ethylbenzamide (CID 59011382) is 4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-bromo-N-ethylbenzamide.
What is the SMILES notation for 4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-bromo-N-ethylbenzamide?
The canonical SMILES for 4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-bromo-N-ethylbenzamide is CCNC(=O)c1ccc(-n2nc(-c3cccnc3)c3c2-c2sc(NC(C)=O)nc2CC3)c(Br)c1.
What is the InChIKey of 4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-bromo-N-ethylbenzamide?
The InChIKey is GDNDKOFWWGPUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21BrN6O2S/c1-3-27-23(33)14-6-9-19(17(25)11-14)31-21-16(20(30-31)15-5-4-10-26-12-15)7-8-18-22(21)34-24(29-18)28-13(2)32/h4-6,9-12H,3,7-8H2,1-2H3,(H,27,33)(H,28,29,32).
What are the key properties of 4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-bromo-N-ethylbenzamide?
4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-bromo-N-ethylbenzamide has a molecular weight of 537.44 g/mol, XLogP of 4.63, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-acetamido-3-pyridin-3-yl-4,5-dihydropyrazolo[4,5-g][1,3]benzothiazol-1-yl)-3-bromo-N-ethylbenzamide is sourced from PubChem (CID 59011382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).