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

C19H15FN4O — CID 134807071

IUPAC3-(4-fluoro-2-methylphenyl)-5-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyrazine
SMILESCOc1ccc(-c2cnc3n[nH]c(-c4ccc(F)cc4C)c3n2)cc1
InChIInChI=1S/C19H15FN4O/c1-11-9-13(20)5-8-15(11)17-18-19(24-23-17)21-10-16(22-18)12-3-6-14(25-2)7-4-12/h3-10H,1-2H3,(H,21,23,24)
InChIKeyDBRIFWHPRCXTEA-UHFFFAOYSA-N
MW334.35 g/mol
LogP4.14
Rot. Bonds3

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

3-(4-fluoro-2-methylphenyl)-5-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyrazine (PubChem CID 134807071) has the molecular formula C19H15FN4O and a molecular weight of 334.35 g/mol. Its IUPAC name is 3-(4-fluoro-2-methylphenyl)-5-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyrazine.

Molecular Properties

Compound Name3-(4-fluoro-2-methylphenyl)-5-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyrazine
PubChem CID134807071
Molecular FormulaC19H15FN4O
Molecular Weight334.35 g/mol
Exact Mass334.12
IUPAC Name3-(4-fluoro-2-methylphenyl)-5-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyrazine
SMILESCOc1ccc(-c2cnc3n[nH]c(-c4ccc(F)cc4C)c3n2)cc1
InChIInChI=1S/C19H15FN4O/c1-11-9-13(20)5-8-15(11)17-18-19(24-23-17)21-10-16(22-18)12-3-6-14(25-2)7-4-12/h3-10H,1-2H3,(H,21,23,24)
InChIKeyDBRIFWHPRCXTEA-UHFFFAOYSA-N
XLogP4.14
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-2-methylphenyl)-5-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyrazine?
The IUPAC name of 3-(4-fluoro-2-methylphenyl)-5-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyrazine (CID 134807071) is 3-(4-fluoro-2-methylphenyl)-5-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyrazine.
What is the SMILES notation for 3-(4-fluoro-2-methylphenyl)-5-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyrazine?
The canonical SMILES for 3-(4-fluoro-2-methylphenyl)-5-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyrazine is COc1ccc(-c2cnc3n[nH]c(-c4ccc(F)cc4C)c3n2)cc1.
What is the InChIKey of 3-(4-fluoro-2-methylphenyl)-5-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyrazine?
The InChIKey is DBRIFWHPRCXTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O/c1-11-9-13(20)5-8-15(11)17-18-19(24-23-17)21-10-16(22-18)12-3-6-14(25-2)7-4-12/h3-10H,1-2H3,(H,21,23,24).
What are the key properties of 3-(4-fluoro-2-methylphenyl)-5-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyrazine?
3-(4-fluoro-2-methylphenyl)-5-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyrazine has a molecular weight of 334.35 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-2-methylphenyl)-5-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyrazine is sourced from PubChem (CID 134807071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).