3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4H-1,2,4-thiadiazol-5-one

C15H10FN5OS — CID 135627650

IUPAC3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4H-1,2,4-thiadiazol-5-one
SMILESO=c1[nH]c(-c2nn(Cc3ccccc3F)c3ncccc23)ns1
InChIInChI=1S/C15H10FN5OS/c16-11-6-2-1-4-9(11)8-21-14-10(5-3-7-17-14)12(19-21)13-18-15(22)23-20-13/h1-7H,8H2,(H,18,20,22)
InChIKeyPPPUDLCOPRXLTR-UHFFFAOYSA-N
MW327.34 g/mol
LogP2.43
Rot. Bonds3

About 3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4H-1,2,4-thiadiazol-5-one

3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4H-1,2,4-thiadiazol-5-one (PubChem CID 135627650) has the molecular formula C15H10FN5OS and a molecular weight of 327.34 g/mol. Its IUPAC name is 3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4H-1,2,4-thiadiazol-5-one.

Molecular Properties

Compound Name3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4H-1,2,4-thiadiazol-5-one
PubChem CID135627650
Molecular FormulaC15H10FN5OS
Molecular Weight327.34 g/mol
Exact Mass327.06
IUPAC Name3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4H-1,2,4-thiadiazol-5-one
SMILESO=c1[nH]c(-c2nn(Cc3ccccc3F)c3ncccc23)ns1
InChIInChI=1S/C15H10FN5OS/c16-11-6-2-1-4-9(11)8-21-14-10(5-3-7-17-14)12(19-21)13-18-15(22)23-20-13/h1-7H,8H2,(H,18,20,22)
InChIKeyPPPUDLCOPRXLTR-UHFFFAOYSA-N
XLogP2.43
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Riociguat
CID 11304743
Vericiguat
CID 54674461
Adipiplon
CID 11198924
5-Cyclopropyl-2-(1-((2-fluorophenyl)methyl)-1H-pyrazolo(3,4-b)pyridin-3-yl)-4-pyrimidinamine
CID 9798973
(R)-Zinc-3573
CID 95882507
4-Amino-1-phenylpyrazolo(3,4-d)pyrimidine
CID 4879
Nelociguat
CID 11690019
Unc569
CID 53355503
5-(2-fluorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 21066096
N-((2-aminopyrimidin-5-yl)methyl)-5-(2,6-difluorophenyl)-3-ethylpyrazolo(1,5-a)pyrimidin-7-amine
CID 44629554
2-Methyl-7-(3-pyridinyl)pyrazolo[1,5-a]pyrimidine
CID 736074
Benzyl-(1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-amine
CID 219778

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4H-1,2,4-thiadiazol-5-one?
The IUPAC name of 3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4H-1,2,4-thiadiazol-5-one (CID 135627650) is 3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4H-1,2,4-thiadiazol-5-one.
What is the SMILES notation for 3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4H-1,2,4-thiadiazol-5-one?
The canonical SMILES for 3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4H-1,2,4-thiadiazol-5-one is O=c1[nH]c(-c2nn(Cc3ccccc3F)c3ncccc23)ns1.
What is the InChIKey of 3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4H-1,2,4-thiadiazol-5-one?
The InChIKey is PPPUDLCOPRXLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN5OS/c16-11-6-2-1-4-9(11)8-21-14-10(5-3-7-17-14)12(19-21)13-18-15(22)23-20-13/h1-7H,8H2,(H,18,20,22).
What are the key properties of 3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4H-1,2,4-thiadiazol-5-one?
3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4H-1,2,4-thiadiazol-5-one has a molecular weight of 327.34 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4H-1,2,4-thiadiazol-5-one is sourced from PubChem (CID 135627650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).