1-(2-pyrazin-2-yl-6-pyridin-4-ylpyrimidin-4-yl)pyrazole-3-carboxylic acid

C17H11N7O2 — CID 56767734

IUPAC1-(2-pyrazin-2-yl-6-pyridin-4-ylpyrimidin-4-yl)pyrazole-3-carboxylic acid
SMILESO=C(O)c1ccn(-c2cc(-c3ccncc3)nc(-c3cnccn3)n2)n1
InChIInChI=1S/C17H11N7O2/c25-17(26)12-3-8-24(23-12)15-9-13(11-1-4-18-5-2-11)21-16(22-15)14-10-19-6-7-20-14/h1-10H,(H,25,26)
InChIKeySISPRIPUIIWZIT-UHFFFAOYSA-N
MW345.32 g/mol
LogP1.88
Rot. Bonds4

About 1-(2-pyrazin-2-yl-6-pyridin-4-ylpyrimidin-4-yl)pyrazole-3-carboxylic acid

1-(2-pyrazin-2-yl-6-pyridin-4-ylpyrimidin-4-yl)pyrazole-3-carboxylic acid (PubChem CID 56767734) has the molecular formula C17H11N7O2 and a molecular weight of 345.32 g/mol. Its IUPAC name is 1-(2-pyrazin-2-yl-6-pyridin-4-ylpyrimidin-4-yl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-pyrazin-2-yl-6-pyridin-4-ylpyrimidin-4-yl)pyrazole-3-carboxylic acid
PubChem CID56767734
Molecular FormulaC17H11N7O2
Molecular Weight345.32 g/mol
Exact Mass345.10
IUPAC Name1-(2-pyrazin-2-yl-6-pyridin-4-ylpyrimidin-4-yl)pyrazole-3-carboxylic acid
SMILESO=C(O)c1ccn(-c2cc(-c3ccncc3)nc(-c3cnccn3)n2)n1
InChIInChI=1S/C17H11N7O2/c25-17(26)12-3-8-24(23-12)15-9-13(11-1-4-18-5-2-11)21-16(22-15)14-10-19-6-7-20-14/h1-10H,(H,25,26)
InChIKeySISPRIPUIIWZIT-UHFFFAOYSA-N
XLogP1.88
TPSA119.57 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.32
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(2-pyrazin-2-yl-6-pyridin-4-ylpyrimidin-4-yl)pyrazole-3-carboxylic acid?
The IUPAC name of 1-(2-pyrazin-2-yl-6-pyridin-4-ylpyrimidin-4-yl)pyrazole-3-carboxylic acid (CID 56767734) is 1-(2-pyrazin-2-yl-6-pyridin-4-ylpyrimidin-4-yl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-(2-pyrazin-2-yl-6-pyridin-4-ylpyrimidin-4-yl)pyrazole-3-carboxylic acid?
The canonical SMILES for 1-(2-pyrazin-2-yl-6-pyridin-4-ylpyrimidin-4-yl)pyrazole-3-carboxylic acid is O=C(O)c1ccn(-c2cc(-c3ccncc3)nc(-c3cnccn3)n2)n1.
What is the InChIKey of 1-(2-pyrazin-2-yl-6-pyridin-4-ylpyrimidin-4-yl)pyrazole-3-carboxylic acid?
The InChIKey is SISPRIPUIIWZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N7O2/c25-17(26)12-3-8-24(23-12)15-9-13(11-1-4-18-5-2-11)21-16(22-15)14-10-19-6-7-20-14/h1-10H,(H,25,26).
What are the key properties of 1-(2-pyrazin-2-yl-6-pyridin-4-ylpyrimidin-4-yl)pyrazole-3-carboxylic acid?
1-(2-pyrazin-2-yl-6-pyridin-4-ylpyrimidin-4-yl)pyrazole-3-carboxylic acid has a molecular weight of 345.32 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyrazin-2-yl-6-pyridin-4-ylpyrimidin-4-yl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 56767734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).