7-(1,7-dimethylpyrazolo[4,5-b]pyridin-5-yl)-1,3-benzothiazole

C15H12N4S — CID 169414553

IUPAC7-(1,7-dimethylpyrazolo[4,5-b]pyridin-5-yl)-1,3-benzothiazole
SMILESCc1cc(-c2cccc3ncsc23)nc2cnn(C)c12
InChIInChI=1S/C15H12N4S/c1-9-6-12(18-13-7-17-19(2)14(9)13)10-4-3-5-11-15(10)20-8-16-11/h3-8H,1-2H3
InChIKeyLLPBNSHKCMLOJY-UHFFFAOYSA-N
MW280.36 g/mol
LogP3.55
Rot. Bonds1

About 7-(1,7-dimethylpyrazolo[4,5-b]pyridin-5-yl)-1,3-benzothiazole

7-(1,7-dimethylpyrazolo[4,5-b]pyridin-5-yl)-1,3-benzothiazole (PubChem CID 169414553) has the molecular formula C15H12N4S and a molecular weight of 280.36 g/mol. Its IUPAC name is 7-(1,7-dimethylpyrazolo[4,5-b]pyridin-5-yl)-1,3-benzothiazole.

Molecular Properties

Compound Name7-(1,7-dimethylpyrazolo[4,5-b]pyridin-5-yl)-1,3-benzothiazole
PubChem CID169414553
Molecular FormulaC15H12N4S
Molecular Weight280.36 g/mol
Exact Mass280.08
IUPAC Name7-(1,7-dimethylpyrazolo[4,5-b]pyridin-5-yl)-1,3-benzothiazole
SMILESCc1cc(-c2cccc3ncsc23)nc2cnn(C)c12
InChIInChI=1S/C15H12N4S/c1-9-6-12(18-13-7-17-19(2)14(9)13)10-4-3-5-11-15(10)20-8-16-11/h3-8H,1-2H3
InChIKeyLLPBNSHKCMLOJY-UHFFFAOYSA-N
XLogP3.55
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-(1,7-dimethylpyrazolo[4,5-b]pyridin-5-yl)quinoline
CID 169418235
5-(2-chloro-3-methoxyphenyl)-1-ethyl-7-methylpyrazolo[4,5-b]pyridine
CID 171913716
5-(3-chloro-4,5-dimethoxyphenyl)-1,7-dimethylpyrazolo[4,5-b]pyridine
CID 169421295
5-(3-methoxy-4-pyrrolidin-1-ylphenyl)-1,7-dimethylpyrazolo[4,5-b]pyridine
CID 170506179
7-chloro-1-methyl-5-pyridin-2-ylpyrazolo[4,5-d]pyrimidine
CID 165130545
1-[5-(1,3-benzothiazol-7-yl)-6-(6-methyl-2-pyridinyl)-2,3-dihydroimidazo[1,2-a]imidazol-1-yl]ethanone
CID 170341030
5-ethenyl-1,7-dimethylpyrazolo[4,3-d]pyrimidine
CID 142514446
(R)-N-[(1R)-1-[2-(1,3-benzothiazol-7-yl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethyl]-2-methylpropane-2-sulfinamide
CID 169154740
2-(1,3-benzothiazol-7-yl)-6-hydrazinylaniline
CID 91034302
1-methylpyrazolo[4,3-b]quinolin-9-amine
CID 3547873
[1-[2-(1,3-benzothiazol-7-yl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethylamino]-tert-butyl-oxidosulfanium
CID 174056124
5-(2-ethoxy-3-pyridinyl)-1-methyl-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]pyrazolo[4,5-b]pyridin-7-amine
CID 138687997

Frequently Asked Questions

What is the IUPAC name of 7-(1,7-dimethylpyrazolo[4,5-b]pyridin-5-yl)-1,3-benzothiazole?
The IUPAC name of 7-(1,7-dimethylpyrazolo[4,5-b]pyridin-5-yl)-1,3-benzothiazole (CID 169414553) is 7-(1,7-dimethylpyrazolo[4,5-b]pyridin-5-yl)-1,3-benzothiazole.
What is the SMILES notation for 7-(1,7-dimethylpyrazolo[4,5-b]pyridin-5-yl)-1,3-benzothiazole?
The canonical SMILES for 7-(1,7-dimethylpyrazolo[4,5-b]pyridin-5-yl)-1,3-benzothiazole is Cc1cc(-c2cccc3ncsc23)nc2cnn(C)c12.
What is the InChIKey of 7-(1,7-dimethylpyrazolo[4,5-b]pyridin-5-yl)-1,3-benzothiazole?
The InChIKey is LLPBNSHKCMLOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4S/c1-9-6-12(18-13-7-17-19(2)14(9)13)10-4-3-5-11-15(10)20-8-16-11/h3-8H,1-2H3.
What are the key properties of 7-(1,7-dimethylpyrazolo[4,5-b]pyridin-5-yl)-1,3-benzothiazole?
7-(1,7-dimethylpyrazolo[4,5-b]pyridin-5-yl)-1,3-benzothiazole has a molecular weight of 280.36 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1,7-dimethylpyrazolo[4,5-b]pyridin-5-yl)-1,3-benzothiazole is sourced from PubChem (CID 169414553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).