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

C20H17FN4O2 — CID 134807596

IUPAC5-(4-fluoro-2-methoxyphenyl)-3-(4-methoxy-2-methylphenyl)-2H-pyrazolo[3,4-b]pyrazine
SMILESCOc1ccc(-c2[nH]nc3ncc(-c4ccc(F)cc4OC)nc23)c(C)c1
InChIInChI=1S/C20H17FN4O2/c1-11-8-13(26-2)5-7-14(11)18-19-20(25-24-18)22-10-16(23-19)15-6-4-12(21)9-17(15)27-3/h4-10H,1-3H3,(H,22,24,25)
InChIKeyKIIFPRBNJARQPI-UHFFFAOYSA-N
MW364.38 g/mol
LogP4.15
Rot. Bonds4

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

5-(4-fluoro-2-methoxyphenyl)-3-(4-methoxy-2-methylphenyl)-2H-pyrazolo[3,4-b]pyrazine (PubChem CID 134807596) has the molecular formula C20H17FN4O2 and a molecular weight of 364.38 g/mol. Its IUPAC name is 5-(4-fluoro-2-methoxyphenyl)-3-(4-methoxy-2-methylphenyl)-2H-pyrazolo[3,4-b]pyrazine.

Molecular Properties

Compound Name5-(4-fluoro-2-methoxyphenyl)-3-(4-methoxy-2-methylphenyl)-2H-pyrazolo[3,4-b]pyrazine
PubChem CID134807596
Molecular FormulaC20H17FN4O2
Molecular Weight364.38 g/mol
Exact Mass364.13
IUPAC Name5-(4-fluoro-2-methoxyphenyl)-3-(4-methoxy-2-methylphenyl)-2H-pyrazolo[3,4-b]pyrazine
SMILESCOc1ccc(-c2[nH]nc3ncc(-c4ccc(F)cc4OC)nc23)c(C)c1
InChIInChI=1S/C20H17FN4O2/c1-11-8-13(26-2)5-7-14(11)18-19-20(25-24-18)22-10-16(23-19)15-6-4-12(21)9-17(15)27-3/h4-10H,1-3H3,(H,22,24,25)
InChIKeyKIIFPRBNJARQPI-UHFFFAOYSA-N
XLogP4.15
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 54.15
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-(4-methoxy-2-methylphenyl)-2H-pyrazolo[3,4-b]pyrazine?
The IUPAC name of 5-(4-fluoro-2-methoxyphenyl)-3-(4-methoxy-2-methylphenyl)-2H-pyrazolo[3,4-b]pyrazine (CID 134807596) is 5-(4-fluoro-2-methoxyphenyl)-3-(4-methoxy-2-methylphenyl)-2H-pyrazolo[3,4-b]pyrazine.
What is the SMILES notation for 5-(4-fluoro-2-methoxyphenyl)-3-(4-methoxy-2-methylphenyl)-2H-pyrazolo[3,4-b]pyrazine?
The canonical SMILES for 5-(4-fluoro-2-methoxyphenyl)-3-(4-methoxy-2-methylphenyl)-2H-pyrazolo[3,4-b]pyrazine is COc1ccc(-c2[nH]nc3ncc(-c4ccc(F)cc4OC)nc23)c(C)c1.
What is the InChIKey of 5-(4-fluoro-2-methoxyphenyl)-3-(4-methoxy-2-methylphenyl)-2H-pyrazolo[3,4-b]pyrazine?
The InChIKey is KIIFPRBNJARQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O2/c1-11-8-13(26-2)5-7-14(11)18-19-20(25-24-18)22-10-16(23-19)15-6-4-12(21)9-17(15)27-3/h4-10H,1-3H3,(H,22,24,25).
What are the key properties of 5-(4-fluoro-2-methoxyphenyl)-3-(4-methoxy-2-methylphenyl)-2H-pyrazolo[3,4-b]pyrazine?
5-(4-fluoro-2-methoxyphenyl)-3-(4-methoxy-2-methylphenyl)-2H-pyrazolo[3,4-b]pyrazine has a molecular weight of 364.38 g/mol, XLogP of 4.15, 4 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-(4-methoxy-2-methylphenyl)-2H-pyrazolo[3,4-b]pyrazine is sourced from PubChem (CID 134807596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).