3-[3-(3-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyrazin-5-yl]phenol

C16H12N4OS — CID 134808829

IUPAC3-[3-(3-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyrazin-5-yl]phenol
SMILESCc1ccsc1-c1[nH]nc2ncc(-c3cccc(O)c3)nc12
InChIInChI=1S/C16H12N4OS/c1-9-5-6-22-15(9)13-14-16(20-19-13)17-8-12(18-14)10-3-2-4-11(21)7-10/h2-8,21H,1H3,(H,17,19,20)
InChIKeyGGMKXYPQRGZQCD-UHFFFAOYSA-N
MW308.37 g/mol
LogP3.76
Rot. Bonds2

About 3-[3-(3-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyrazin-5-yl]phenol

3-[3-(3-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyrazin-5-yl]phenol (PubChem CID 134808829) has the molecular formula C16H12N4OS and a molecular weight of 308.37 g/mol. Its IUPAC name is 3-[3-(3-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyrazin-5-yl]phenol.

Molecular Properties

Compound Name3-[3-(3-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyrazin-5-yl]phenol
PubChem CID134808829
Molecular FormulaC16H12N4OS
Molecular Weight308.37 g/mol
Exact Mass308.07
IUPAC Name3-[3-(3-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyrazin-5-yl]phenol
SMILESCc1ccsc1-c1[nH]nc2ncc(-c3cccc(O)c3)nc12
InChIInChI=1S/C16H12N4OS/c1-9-5-6-22-15(9)13-14-16(20-19-13)17-8-12(18-14)10-3-2-4-11(21)7-10/h2-8,21H,1H3,(H,17,19,20)
InChIKeyGGMKXYPQRGZQCD-UHFFFAOYSA-N
XLogP3.76
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(6-Thiophen-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]phenol
CID 11324313
2-(7-Amino-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-2-yl)phenol
CID 127046438
2-[3-(2,2,6,6-Tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]-5-(1,3-thiazol-2-yl)phenol
CID 156699201
3-[6-(2-Thienyl)imidazo [1,2-a]pyrazin-3-yl]phenol
CID 117769781
US11014929, Example 21
CID 134326340
5-(4-fluoro-2-methoxyphenyl)-3-(3-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyrazine
CID 134809763
6-Thiophen-2-yl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine
CID 155547024
3-Thiophen-2-yl-6-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine
CID 155565998
3-(3-methylthiophen-2-yl)-5-phenyl-2H-pyrazolo[3,4-b]pyrazine
CID 134805770
3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyrazin-5-yl]phenol
CID 57820142
US9669028, 183 3-(2-methoxyphenyl)-5-(thiophen-3-yl)-1H-pyrazolo[3,4-b]pyridine
CID 66556444
3-[6-(1-Methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]phenol
CID 126673033

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyrazin-5-yl]phenol?
The IUPAC name of 3-[3-(3-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyrazin-5-yl]phenol (CID 134808829) is 3-[3-(3-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyrazin-5-yl]phenol.
What is the SMILES notation for 3-[3-(3-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyrazin-5-yl]phenol?
The canonical SMILES for 3-[3-(3-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyrazin-5-yl]phenol is Cc1ccsc1-c1[nH]nc2ncc(-c3cccc(O)c3)nc12.
What is the InChIKey of 3-[3-(3-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyrazin-5-yl]phenol?
The InChIKey is GGMKXYPQRGZQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4OS/c1-9-5-6-22-15(9)13-14-16(20-19-13)17-8-12(18-14)10-3-2-4-11(21)7-10/h2-8,21H,1H3,(H,17,19,20).
What are the key properties of 3-[3-(3-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyrazin-5-yl]phenol?
3-[3-(3-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyrazin-5-yl]phenol has a molecular weight of 308.37 g/mol, XLogP of 3.76, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyrazin-5-yl]phenol is sourced from PubChem (CID 134808829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).