1-(1,3-benzothiazol-2-yl)-4-(2,4-dimethylphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

C22H20N4OS — CID 135893170

IUPAC1-(1,3-benzothiazol-2-yl)-4-(2,4-dimethylphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1ccc(C2CC(=O)Nc3c2c(C)nn3-c2nc3ccccc3s2)c(C)c1
InChIInChI=1S/C22H20N4OS/c1-12-8-9-15(13(2)10-12)16-11-19(27)24-21-20(16)14(3)25-26(21)22-23-17-6-4-5-7-18(17)28-22/h4-10,16H,11H2,1-3H3,(H,24,27)
InChIKeyQDZIBLPQXNOCGB-UHFFFAOYSA-N
MW388.50 g/mol
LogP4.88
Rot. Bonds2

About 1-(1,3-benzothiazol-2-yl)-4-(2,4-dimethylphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

1-(1,3-benzothiazol-2-yl)-4-(2,4-dimethylphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135893170) has the molecular formula C22H20N4OS and a molecular weight of 388.50 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-2-yl)-4-(2,4-dimethylphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name1-(1,3-benzothiazol-2-yl)-4-(2,4-dimethylphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID135893170
Molecular FormulaC22H20N4OS
Molecular Weight388.50 g/mol
Exact Mass388.14
IUPAC Name1-(1,3-benzothiazol-2-yl)-4-(2,4-dimethylphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCc1ccc(C2CC(=O)Nc3c2c(C)nn3-c2nc3ccccc3s2)c(C)c1
InChIInChI=1S/C22H20N4OS/c1-12-8-9-15(13(2)10-12)16-11-19(27)24-21-20(16)14(3)25-26(21)22-23-17-6-4-5-7-18(17)28-22/h4-10,16H,11H2,1-3H3,(H,24,27)
InChIKeyQDZIBLPQXNOCGB-UHFFFAOYSA-N
XLogP4.88
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.50
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzothiazol-6-yl)-2-[2-oxo-2-[[1-phenyl-3-(2,4,5-trimethylphenyl)pyrazol-5-yl]amino]ethyl]sulfanylacetamide
CID 135185934
N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2-methylpropanamide
CID 2431643
1-(Benzo[d]thiazol-2-yl)-3-methyl-4-phenyl-1H-pyrazol-5-amine
CID 756028
N-(1,3-benzothiazol-2-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 2354013
N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2-(3-methylpiperidin-1-yl)acetamide
CID 4524609
N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-3-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide
CID 118392840
N-(1-(benzo[d]thiazol-2-yl)-3-methyl-1H-pyrazol-5-yl)cyclopropanecarboxamide
CID 2325942
N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1,3-benzothiazole-6-carboxamide
CID 132056697
Acetamide, N-(3-(4-methylphenyl)-1-(4-phenyl-2-thiazolyl)-1H-pyrazol-5-yl)-
CID 1498356
Benzamide, N-(3-(4-methylphenyl)-1-(4-phenyl-2-thiazolyl)-1H-pyrazol-5-yl)-
CID 3057631
3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]propanamide
CID 16309425
N-[1-(1,3-benzothiazol-2-yl)-3-methyl-1H-pyrazol-5-yl]-2-fluorobenzamide
CID 27378370

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-2-yl)-4-(2,4-dimethylphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 1-(1,3-benzothiazol-2-yl)-4-(2,4-dimethylphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 135893170) is 1-(1,3-benzothiazol-2-yl)-4-(2,4-dimethylphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 1-(1,3-benzothiazol-2-yl)-4-(2,4-dimethylphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 1-(1,3-benzothiazol-2-yl)-4-(2,4-dimethylphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is Cc1ccc(C2CC(=O)Nc3c2c(C)nn3-c2nc3ccccc3s2)c(C)c1.
What is the InChIKey of 1-(1,3-benzothiazol-2-yl)-4-(2,4-dimethylphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is QDZIBLPQXNOCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4OS/c1-12-8-9-15(13(2)10-12)16-11-19(27)24-21-20(16)14(3)25-26(21)22-23-17-6-4-5-7-18(17)28-22/h4-10,16H,11H2,1-3H3,(H,24,27).
What are the key properties of 1-(1,3-benzothiazol-2-yl)-4-(2,4-dimethylphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
1-(1,3-benzothiazol-2-yl)-4-(2,4-dimethylphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 388.50 g/mol, XLogP of 4.88, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-2-yl)-4-(2,4-dimethylphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135893170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).