3-(3-fluoro-4-methoxyphenyl)-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyrazine

C15H11FN6O — CID 134809760

IUPAC3-(3-fluoro-4-methoxyphenyl)-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyrazine
SMILESCOc1ccc(-c2[nH]nc3ncc(-c4cn[nH]c4)nc23)cc1F
InChIInChI=1S/C15H11FN6O/c1-23-12-3-2-8(4-10(12)16)13-14-15(22-21-13)17-7-11(20-14)9-5-18-19-6-9/h2-7H,1H3,(H,18,19)(H,17,21,22)
InChIKeyOFAMKTOGFAEBQR-UHFFFAOYSA-N
MW310.29 g/mol
LogP2.56
Rot. Bonds3

About 3-(3-fluoro-4-methoxyphenyl)-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyrazine

3-(3-fluoro-4-methoxyphenyl)-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyrazine (PubChem CID 134809760) has the molecular formula C15H11FN6O and a molecular weight of 310.29 g/mol. Its IUPAC name is 3-(3-fluoro-4-methoxyphenyl)-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyrazine.

Molecular Properties

Compound Name3-(3-fluoro-4-methoxyphenyl)-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyrazine
PubChem CID134809760
Molecular FormulaC15H11FN6O
Molecular Weight310.29 g/mol
Exact Mass310.10
IUPAC Name3-(3-fluoro-4-methoxyphenyl)-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyrazine
SMILESCOc1ccc(-c2[nH]nc3ncc(-c4cn[nH]c4)nc23)cc1F
InChIInChI=1S/C15H11FN6O/c1-23-12-3-2-8(4-10(12)16)13-14-15(22-21-13)17-7-11(20-14)9-5-18-19-6-9/h2-7H,1H3,(H,18,19)(H,17,21,22)
InChIKeyOFAMKTOGFAEBQR-UHFFFAOYSA-N
XLogP2.56
TPSA92.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.29
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyrazine?
The IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyrazine (CID 134809760) is 3-(3-fluoro-4-methoxyphenyl)-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyrazine.
What is the SMILES notation for 3-(3-fluoro-4-methoxyphenyl)-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyrazine?
The canonical SMILES for 3-(3-fluoro-4-methoxyphenyl)-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyrazine is COc1ccc(-c2[nH]nc3ncc(-c4cn[nH]c4)nc23)cc1F.
What is the InChIKey of 3-(3-fluoro-4-methoxyphenyl)-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyrazine?
The InChIKey is OFAMKTOGFAEBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN6O/c1-23-12-3-2-8(4-10(12)16)13-14-15(22-21-13)17-7-11(20-14)9-5-18-19-6-9/h2-7H,1H3,(H,18,19)(H,17,21,22).
What are the key properties of 3-(3-fluoro-4-methoxyphenyl)-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyrazine?
3-(3-fluoro-4-methoxyphenyl)-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyrazine has a molecular weight of 310.29 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-methoxyphenyl)-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyrazine is sourced from PubChem (CID 134809760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).