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

C17H13FN4OS — CID 134809763

IUPAC5-(4-fluoro-2-methoxyphenyl)-3-(3-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyrazine
SMILESCOc1cc(F)ccc1-c1cnc2n[nH]c(-c3sccc3C)c2n1
InChIInChI=1S/C17H13FN4OS/c1-9-5-6-24-16(9)14-15-17(22-21-14)19-8-12(20-15)11-4-3-10(18)7-13(11)23-2/h3-8H,1-2H3,(H,19,21,22)
InChIKeyBHZVRAMFJIPXLA-UHFFFAOYSA-N
MW340.38 g/mol
LogP4.20
Rot. Bonds3

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

5-(4-fluoro-2-methoxyphenyl)-3-(3-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyrazine (PubChem CID 134809763) has the molecular formula C17H13FN4OS and a molecular weight of 340.38 g/mol. Its IUPAC name is 5-(4-fluoro-2-methoxyphenyl)-3-(3-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyrazine.

Molecular Properties

Compound Name5-(4-fluoro-2-methoxyphenyl)-3-(3-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyrazine
PubChem CID134809763
Molecular FormulaC17H13FN4OS
Molecular Weight340.38 g/mol
Exact Mass340.08
IUPAC Name5-(4-fluoro-2-methoxyphenyl)-3-(3-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyrazine
SMILESCOc1cc(F)ccc1-c1cnc2n[nH]c(-c3sccc3C)c2n1
InChIInChI=1S/C17H13FN4OS/c1-9-5-6-24-16(9)14-15-17(22-21-14)19-8-12(20-15)11-4-3-10(18)7-13(11)23-2/h3-8H,1-2H3,(H,19,21,22)
InChIKeyBHZVRAMFJIPXLA-UHFFFAOYSA-N
XLogP4.20
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoro-2-methoxyphenyl)-3-(3-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyrazine?
The IUPAC name of 5-(4-fluoro-2-methoxyphenyl)-3-(3-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyrazine (CID 134809763) is 5-(4-fluoro-2-methoxyphenyl)-3-(3-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyrazine.
What is the SMILES notation for 5-(4-fluoro-2-methoxyphenyl)-3-(3-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyrazine?
The canonical SMILES for 5-(4-fluoro-2-methoxyphenyl)-3-(3-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyrazine is COc1cc(F)ccc1-c1cnc2n[nH]c(-c3sccc3C)c2n1.
What is the InChIKey of 5-(4-fluoro-2-methoxyphenyl)-3-(3-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyrazine?
The InChIKey is BHZVRAMFJIPXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4OS/c1-9-5-6-24-16(9)14-15-17(22-21-14)19-8-12(20-15)11-4-3-10(18)7-13(11)23-2/h3-8H,1-2H3,(H,19,21,22).
What are the key properties of 5-(4-fluoro-2-methoxyphenyl)-3-(3-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyrazine?
5-(4-fluoro-2-methoxyphenyl)-3-(3-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyrazine has a molecular weight of 340.38 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoro-2-methoxyphenyl)-3-(3-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyrazine is sourced from PubChem (CID 134809763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).