1-(6-pyridin-2-yl-2-pyridin-4-ylpyrimidin-4-yl)imidazole-4-carboxylic acid

C18H12N6O2 — CID 56767608

IUPAC1-(6-pyridin-2-yl-2-pyridin-4-ylpyrimidin-4-yl)imidazole-4-carboxylic acid
SMILESO=C(O)c1cn(-c2cc(-c3ccccn3)nc(-c3ccncc3)n2)cn1
InChIInChI=1S/C18H12N6O2/c25-18(26)15-10-24(11-21-15)16-9-14(13-3-1-2-6-20-13)22-17(23-16)12-4-7-19-8-5-12/h1-11H,(H,25,26)
InChIKeyPQTFRJWMVDMAPD-UHFFFAOYSA-N
MW344.33 g/mol
LogP2.48
Rot. Bonds4

About 1-(6-pyridin-2-yl-2-pyridin-4-ylpyrimidin-4-yl)imidazole-4-carboxylic acid

1-(6-pyridin-2-yl-2-pyridin-4-ylpyrimidin-4-yl)imidazole-4-carboxylic acid (PubChem CID 56767608) has the molecular formula C18H12N6O2 and a molecular weight of 344.33 g/mol. Its IUPAC name is 1-(6-pyridin-2-yl-2-pyridin-4-ylpyrimidin-4-yl)imidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(6-pyridin-2-yl-2-pyridin-4-ylpyrimidin-4-yl)imidazole-4-carboxylic acid
PubChem CID56767608
Molecular FormulaC18H12N6O2
Molecular Weight344.33 g/mol
Exact Mass344.10
IUPAC Name1-(6-pyridin-2-yl-2-pyridin-4-ylpyrimidin-4-yl)imidazole-4-carboxylic acid
SMILESO=C(O)c1cn(-c2cc(-c3ccccn3)nc(-c3ccncc3)n2)cn1
InChIInChI=1S/C18H12N6O2/c25-18(26)15-10-24(11-21-15)16-9-14(13-3-1-2-6-20-13)22-17(23-16)12-4-7-19-8-5-12/h1-11H,(H,25,26)
InChIKeyPQTFRJWMVDMAPD-UHFFFAOYSA-N
XLogP2.48
TPSA106.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.33
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(6-pyridin-2-yl-2-pyridin-4-ylpyrimidin-4-yl)imidazole-4-carboxylic acid?
The IUPAC name of 1-(6-pyridin-2-yl-2-pyridin-4-ylpyrimidin-4-yl)imidazole-4-carboxylic acid (CID 56767608) is 1-(6-pyridin-2-yl-2-pyridin-4-ylpyrimidin-4-yl)imidazole-4-carboxylic acid.
What is the SMILES notation for 1-(6-pyridin-2-yl-2-pyridin-4-ylpyrimidin-4-yl)imidazole-4-carboxylic acid?
The canonical SMILES for 1-(6-pyridin-2-yl-2-pyridin-4-ylpyrimidin-4-yl)imidazole-4-carboxylic acid is O=C(O)c1cn(-c2cc(-c3ccccn3)nc(-c3ccncc3)n2)cn1.
What is the InChIKey of 1-(6-pyridin-2-yl-2-pyridin-4-ylpyrimidin-4-yl)imidazole-4-carboxylic acid?
The InChIKey is PQTFRJWMVDMAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N6O2/c25-18(26)15-10-24(11-21-15)16-9-14(13-3-1-2-6-20-13)22-17(23-16)12-4-7-19-8-5-12/h1-11H,(H,25,26).
What are the key properties of 1-(6-pyridin-2-yl-2-pyridin-4-ylpyrimidin-4-yl)imidazole-4-carboxylic acid?
1-(6-pyridin-2-yl-2-pyridin-4-ylpyrimidin-4-yl)imidazole-4-carboxylic acid has a molecular weight of 344.33 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-pyridin-2-yl-2-pyridin-4-ylpyrimidin-4-yl)imidazole-4-carboxylic acid is sourced from PubChem (CID 56767608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).