5-(2-fluorophenyl)-3-(4-methoxy-2-methylphenyl)-2H-pyrazolo[3,4-b]pyrazine

C19H15FN4O — CID 134805771

IUPAC5-(2-fluorophenyl)-3-(4-methoxy-2-methylphenyl)-2H-pyrazolo[3,4-b]pyrazine
SMILESCOc1ccc(-c2[nH]nc3ncc(-c4ccccc4F)nc23)c(C)c1
InChIInChI=1S/C19H15FN4O/c1-11-9-12(25-2)7-8-13(11)17-18-19(24-23-17)21-10-16(22-18)14-5-3-4-6-15(14)20/h3-10H,1-2H3,(H,21,23,24)
InChIKeyPALKWZOGNZVWBD-UHFFFAOYSA-N
MW334.35 g/mol
LogP4.14
Rot. Bonds3

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

5-(2-fluorophenyl)-3-(4-methoxy-2-methylphenyl)-2H-pyrazolo[3,4-b]pyrazine (PubChem CID 134805771) has the molecular formula C19H15FN4O and a molecular weight of 334.35 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-3-(4-methoxy-2-methylphenyl)-2H-pyrazolo[3,4-b]pyrazine.

Molecular Properties

Compound Name5-(2-fluorophenyl)-3-(4-methoxy-2-methylphenyl)-2H-pyrazolo[3,4-b]pyrazine
PubChem CID134805771
Molecular FormulaC19H15FN4O
Molecular Weight334.35 g/mol
Exact Mass334.12
IUPAC Name5-(2-fluorophenyl)-3-(4-methoxy-2-methylphenyl)-2H-pyrazolo[3,4-b]pyrazine
SMILESCOc1ccc(-c2[nH]nc3ncc(-c4ccccc4F)nc23)c(C)c1
InChIInChI=1S/C19H15FN4O/c1-11-9-12(25-2)7-8-13(11)17-18-19(24-23-17)21-10-16(22-18)14-5-3-4-6-15(14)20/h3-10H,1-2H3,(H,21,23,24)
InChIKeyPALKWZOGNZVWBD-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 5-(2-fluorophenyl)-3-(4-methoxy-2-methylphenyl)-2H-pyrazolo[3,4-b]pyrazine?
The IUPAC name of 5-(2-fluorophenyl)-3-(4-methoxy-2-methylphenyl)-2H-pyrazolo[3,4-b]pyrazine (CID 134805771) is 5-(2-fluorophenyl)-3-(4-methoxy-2-methylphenyl)-2H-pyrazolo[3,4-b]pyrazine.
What is the SMILES notation for 5-(2-fluorophenyl)-3-(4-methoxy-2-methylphenyl)-2H-pyrazolo[3,4-b]pyrazine?
The canonical SMILES for 5-(2-fluorophenyl)-3-(4-methoxy-2-methylphenyl)-2H-pyrazolo[3,4-b]pyrazine is COc1ccc(-c2[nH]nc3ncc(-c4ccccc4F)nc23)c(C)c1.
What is the InChIKey of 5-(2-fluorophenyl)-3-(4-methoxy-2-methylphenyl)-2H-pyrazolo[3,4-b]pyrazine?
The InChIKey is PALKWZOGNZVWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O/c1-11-9-12(25-2)7-8-13(11)17-18-19(24-23-17)21-10-16(22-18)14-5-3-4-6-15(14)20/h3-10H,1-2H3,(H,21,23,24).
What are the key properties of 5-(2-fluorophenyl)-3-(4-methoxy-2-methylphenyl)-2H-pyrazolo[3,4-b]pyrazine?
5-(2-fluorophenyl)-3-(4-methoxy-2-methylphenyl)-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 5-(2-fluorophenyl)-3-(4-methoxy-2-methylphenyl)-2H-pyrazolo[3,4-b]pyrazine is sourced from PubChem (CID 134805771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).