6-(5-pyrimidin-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)pyridine-3-carboxylic acid

C15H12N6O2 — CID 11185910

IUPAC6-(5-pyrimidin-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(-c2n[nH]c3c2CN(c2ncccn2)C3)nc1
InChIInChI=1S/C15H12N6O2/c22-14(23)9-2-3-11(18-6-9)13-10-7-21(8-12(10)19-20-13)15-16-4-1-5-17-15/h1-6H,7-8H2,(H,19,20)(H,22,23)
InChIKeyDSNPJHJGYXCLIZ-UHFFFAOYSA-N
MW308.30 g/mol
LogP1.48
Rot. Bonds3

About 6-(5-pyrimidin-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)pyridine-3-carboxylic acid

6-(5-pyrimidin-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)pyridine-3-carboxylic acid (PubChem CID 11185910) has the molecular formula C15H12N6O2 and a molecular weight of 308.30 g/mol. Its IUPAC name is 6-(5-pyrimidin-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(5-pyrimidin-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)pyridine-3-carboxylic acid
PubChem CID11185910
Molecular FormulaC15H12N6O2
Molecular Weight308.30 g/mol
Exact Mass308.10
IUPAC Name6-(5-pyrimidin-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(-c2n[nH]c3c2CN(c2ncccn2)C3)nc1
InChIInChI=1S/C15H12N6O2/c22-14(23)9-2-3-11(18-6-9)13-10-7-21(8-12(10)19-20-13)15-16-4-1-5-17-15/h1-6H,7-8H2,(H,19,20)(H,22,23)
InChIKeyDSNPJHJGYXCLIZ-UHFFFAOYSA-N
XLogP1.48
TPSA107.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(5-pyrimidin-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)pyridine-3-carboxylic acid?
The IUPAC name of 6-(5-pyrimidin-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)pyridine-3-carboxylic acid (CID 11185910) is 6-(5-pyrimidin-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(5-pyrimidin-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(5-pyrimidin-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)pyridine-3-carboxylic acid is O=C(O)c1ccc(-c2n[nH]c3c2CN(c2ncccn2)C3)nc1.
What is the InChIKey of 6-(5-pyrimidin-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)pyridine-3-carboxylic acid?
The InChIKey is DSNPJHJGYXCLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6O2/c22-14(23)9-2-3-11(18-6-9)13-10-7-21(8-12(10)19-20-13)15-16-4-1-5-17-15/h1-6H,7-8H2,(H,19,20)(H,22,23).
What are the key properties of 6-(5-pyrimidin-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)pyridine-3-carboxylic acid?
6-(5-pyrimidin-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)pyridine-3-carboxylic acid has a molecular weight of 308.30 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-pyrimidin-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 11185910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).