3-naphthalen-2-yl-2H-pyrazolo[3,4-b]pyrazine-5-carboxylic acid

C16H10N4O2 — CID 59796901

IUPAC3-naphthalen-2-yl-2H-pyrazolo[3,4-b]pyrazine-5-carboxylic acid
SMILESO=C(O)c1cnc2n[nH]c(-c3ccc4ccccc4c3)c2n1
InChIInChI=1S/C16H10N4O2/c21-16(22)12-8-17-15-14(18-12)13(19-20-15)11-6-5-9-3-1-2-4-10(9)7-11/h1-8H,(H,21,22)(H,17,19,20)
InChIKeyZYZVSRMOYCKGPP-UHFFFAOYSA-N
MW290.28 g/mol
LogP2.87
Rot. Bonds2

About 3-naphthalen-2-yl-2H-pyrazolo[3,4-b]pyrazine-5-carboxylic acid

3-naphthalen-2-yl-2H-pyrazolo[3,4-b]pyrazine-5-carboxylic acid (PubChem CID 59796901) has the molecular formula C16H10N4O2 and a molecular weight of 290.28 g/mol. Its IUPAC name is 3-naphthalen-2-yl-2H-pyrazolo[3,4-b]pyrazine-5-carboxylic acid.

Molecular Properties

Compound Name3-naphthalen-2-yl-2H-pyrazolo[3,4-b]pyrazine-5-carboxylic acid
PubChem CID59796901
Molecular FormulaC16H10N4O2
Molecular Weight290.28 g/mol
Exact Mass290.08
IUPAC Name3-naphthalen-2-yl-2H-pyrazolo[3,4-b]pyrazine-5-carboxylic acid
SMILESO=C(O)c1cnc2n[nH]c(-c3ccc4ccccc4c3)c2n1
InChIInChI=1S/C16H10N4O2/c21-16(22)12-8-17-15-14(18-12)13(19-20-15)11-6-5-9-3-1-2-4-10(9)7-11/h1-8H,(H,21,22)(H,17,19,20)
InChIKeyZYZVSRMOYCKGPP-UHFFFAOYSA-N
XLogP2.87
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-2-yl-2H-pyrazolo[3,4-b]pyrazine-5-carboxylic acid?
The IUPAC name of 3-naphthalen-2-yl-2H-pyrazolo[3,4-b]pyrazine-5-carboxylic acid (CID 59796901) is 3-naphthalen-2-yl-2H-pyrazolo[3,4-b]pyrazine-5-carboxylic acid.
What is the SMILES notation for 3-naphthalen-2-yl-2H-pyrazolo[3,4-b]pyrazine-5-carboxylic acid?
The canonical SMILES for 3-naphthalen-2-yl-2H-pyrazolo[3,4-b]pyrazine-5-carboxylic acid is O=C(O)c1cnc2n[nH]c(-c3ccc4ccccc4c3)c2n1.
What is the InChIKey of 3-naphthalen-2-yl-2H-pyrazolo[3,4-b]pyrazine-5-carboxylic acid?
The InChIKey is ZYZVSRMOYCKGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N4O2/c21-16(22)12-8-17-15-14(18-12)13(19-20-15)11-6-5-9-3-1-2-4-10(9)7-11/h1-8H,(H,21,22)(H,17,19,20).
What are the key properties of 3-naphthalen-2-yl-2H-pyrazolo[3,4-b]pyrazine-5-carboxylic acid?
3-naphthalen-2-yl-2H-pyrazolo[3,4-b]pyrazine-5-carboxylic acid has a molecular weight of 290.28 g/mol, XLogP of 2.87, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-2-yl-2H-pyrazolo[3,4-b]pyrazine-5-carboxylic acid is sourced from PubChem (CID 59796901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).