4-pyrazolo[1,5-a]pyridin-5-yl-1,2,3-benzothiadiazole

C13H8N4S — CID 167931245

IUPAC4-pyrazolo[1,5-a]pyridin-5-yl-1,2,3-benzothiadiazole
SMILESc1cc(-c2ccn3nccc3c2)c2nnsc2c1
InChIInChI=1S/C13H8N4S/c1-2-11(13-12(3-1)18-16-15-13)9-5-7-17-10(8-9)4-6-14-17/h1-8H
InChIKeyORZUZWHMLJPRMQ-UHFFFAOYSA-N
MW252.30 g/mol
LogP3.01
Rot. Bonds1

About 4-pyrazolo[1,5-a]pyridin-5-yl-1,2,3-benzothiadiazole

4-pyrazolo[1,5-a]pyridin-5-yl-1,2,3-benzothiadiazole (PubChem CID 167931245) has the molecular formula C13H8N4S and a molecular weight of 252.30 g/mol. Its IUPAC name is 4-pyrazolo[1,5-a]pyridin-5-yl-1,2,3-benzothiadiazole.

Molecular Properties

Compound Name4-pyrazolo[1,5-a]pyridin-5-yl-1,2,3-benzothiadiazole
PubChem CID167931245
Molecular FormulaC13H8N4S
Molecular Weight252.30 g/mol
Exact Mass252.05
IUPAC Name4-pyrazolo[1,5-a]pyridin-5-yl-1,2,3-benzothiadiazole
SMILESc1cc(-c2ccn3nccc3c2)c2nnsc2c1
InChIInChI=1S/C13H8N4S/c1-2-11(13-12(3-1)18-16-15-13)9-5-7-17-10(8-9)4-6-14-17/h1-8H
InChIKeyORZUZWHMLJPRMQ-UHFFFAOYSA-N
XLogP3.01
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2H-benzotriazol-5-yl)-1,2,3-benzothiadiazole
CID 71151522
2-(2-fluoro-6-pyrazolo[1,5-a]pyridin-5-ylphenyl)ethanol
CID 167852733
4-(1,2,3-benzothiadiazol-4-yl)-1,3-benzoxazole
CID 166340248
3-fluoro-8-pyrazolo[1,5-a]pyridin-5-yl-1,5-naphthyridine
CID 167748220
1,2,3-benzothiadiazole-4-thiol
CID 135524836
pyrazolo[1,5-a]pyridine-5-carboxamide
CID 59476214
5-[4-(2-methoxypropan-2-yl)phenyl]pyrazolo[1,5-a]pyridine
CID 134541669
5-[4-[(1R)-2,2-difluorocyclopropyl]phenyl]pyrazolo[1,5-a]pyridine
CID 159895777
3-pyrazolo[1,5-a]pyridin-5-yl-5,6,7,8-tetrahydroquinoline
CID 167783752
2-pyrazolo[1,5-a]pyridin-5-ylethanol
CID 59476221
5-propylpyrazolo[1,5-a]pyridine
CID 147135525
5-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine;5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine;5-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine;5-[2-(3-chlorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine;5-[2-(3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine
CID 159895334

Frequently Asked Questions

What is the IUPAC name of 4-pyrazolo[1,5-a]pyridin-5-yl-1,2,3-benzothiadiazole?
The IUPAC name of 4-pyrazolo[1,5-a]pyridin-5-yl-1,2,3-benzothiadiazole (CID 167931245) is 4-pyrazolo[1,5-a]pyridin-5-yl-1,2,3-benzothiadiazole.
What is the SMILES notation for 4-pyrazolo[1,5-a]pyridin-5-yl-1,2,3-benzothiadiazole?
The canonical SMILES for 4-pyrazolo[1,5-a]pyridin-5-yl-1,2,3-benzothiadiazole is c1cc(-c2ccn3nccc3c2)c2nnsc2c1.
What is the InChIKey of 4-pyrazolo[1,5-a]pyridin-5-yl-1,2,3-benzothiadiazole?
The InChIKey is ORZUZWHMLJPRMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N4S/c1-2-11(13-12(3-1)18-16-15-13)9-5-7-17-10(8-9)4-6-14-17/h1-8H.
What are the key properties of 4-pyrazolo[1,5-a]pyridin-5-yl-1,2,3-benzothiadiazole?
4-pyrazolo[1,5-a]pyridin-5-yl-1,2,3-benzothiadiazole has a molecular weight of 252.30 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrazolo[1,5-a]pyridin-5-yl-1,2,3-benzothiadiazole is sourced from PubChem (CID 167931245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).