5-(2-methoxyphenyl)-3-(3-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyrazine

C17H14N4OS — CID 134806126

IUPAC5-(2-methoxyphenyl)-3-(3-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyrazine
SMILESCOc1ccccc1-c1cnc2n[nH]c(-c3sccc3C)c2n1
InChIInChI=1S/C17H14N4OS/c1-10-7-8-23-16(10)14-15-17(21-20-14)18-9-12(19-15)11-5-3-4-6-13(11)22-2/h3-9H,1-2H3,(H,18,20,21)
InChIKeyFZDYSVAZVARQSY-UHFFFAOYSA-N
MW322.39 g/mol
LogP4.07
Rot. Bonds3

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

5-(2-methoxyphenyl)-3-(3-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyrazine (PubChem CID 134806126) has the molecular formula C17H14N4OS and a molecular weight of 322.39 g/mol. Its IUPAC name is 5-(2-methoxyphenyl)-3-(3-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyrazine.

Molecular Properties

Compound Name5-(2-methoxyphenyl)-3-(3-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyrazine
PubChem CID134806126
Molecular FormulaC17H14N4OS
Molecular Weight322.39 g/mol
Exact Mass322.09
IUPAC Name5-(2-methoxyphenyl)-3-(3-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyrazine
SMILESCOc1ccccc1-c1cnc2n[nH]c(-c3sccc3C)c2n1
InChIInChI=1S/C17H14N4OS/c1-10-7-8-23-16(10)14-15-17(21-20-14)18-9-12(19-15)11-5-3-4-6-13(11)22-2/h3-9H,1-2H3,(H,18,20,21)
InChIKeyFZDYSVAZVARQSY-UHFFFAOYSA-N
XLogP4.07
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-(2-fluorophenyl)-2-((2-methyl-2H-1,2,4-triazol-3-yl)methoxy)-3-(thiophen-2-yl)pyrazolo[1,5-d][1,2,4]triazine
CID 18406916
6-(4-Methoxyphenyl)-5-methyl-3-(3-thienyl)pyrazolo[1,5-a]pyrimidin-7-ylamine
CID 1481773
2-((2-methyl-2H-1,2,4-triazol-3-yl)methoxy)-3-phenyl-7-(thiophen-2-yl)pyrazolo[1,5-d][1,2,4]triazine
CID 18406866
2-(phenoxymethyl)-6-thiophen-2-yl-1H-imidazo[4,5-b]pyridine
CID 23025793
N2-(4-(benzo[d]thiazol-2-yl)-3-methoxyphenyl)-N4-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 44564788
US11014929, Example 14
CID 134326851
1-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 866553
N-(2-methoxybenzyl)-3-(phenylsulfonyl)thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-amine
CID 18560182
2-(4-Methoxyphenyl)-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-amine
CID 127036450
2-(2-Methoxyphenyl)-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-amine
CID 127045824
3-(3-fluoro-4-methoxyphenyl)-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyrazine
CID 134809760
3-[5-[2-Methoxy-4-(trifluoromethyl)phenyl]thiophen-2-yl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine
CID 164613273

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyphenyl)-3-(3-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyrazine?
The IUPAC name of 5-(2-methoxyphenyl)-3-(3-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyrazine (CID 134806126) is 5-(2-methoxyphenyl)-3-(3-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyrazine.
What is the SMILES notation for 5-(2-methoxyphenyl)-3-(3-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyrazine?
The canonical SMILES for 5-(2-methoxyphenyl)-3-(3-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyrazine is COc1ccccc1-c1cnc2n[nH]c(-c3sccc3C)c2n1.
What is the InChIKey of 5-(2-methoxyphenyl)-3-(3-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyrazine?
The InChIKey is FZDYSVAZVARQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4OS/c1-10-7-8-23-16(10)14-15-17(21-20-14)18-9-12(19-15)11-5-3-4-6-13(11)22-2/h3-9H,1-2H3,(H,18,20,21).
What are the key properties of 5-(2-methoxyphenyl)-3-(3-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyrazine?
5-(2-methoxyphenyl)-3-(3-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyrazine has a molecular weight of 322.39 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyphenyl)-3-(3-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyrazine is sourced from PubChem (CID 134806126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).