2-(3-methylimidazo[1,5-a]pyridin-1-yl)pyrimidine-5-carboxylic acid

C13H10N4O2 — CID 169159865

IUPAC2-(3-methylimidazo[1,5-a]pyridin-1-yl)pyrimidine-5-carboxylic acid
SMILESCc1nc(-c2ncc(C(=O)O)cn2)c2ccccn12
InChIInChI=1S/C13H10N4O2/c1-8-16-11(10-4-2-3-5-17(8)10)12-14-6-9(7-15-12)13(18)19/h2-7H,1H3,(H,18,19)
InChIKeyGEBXOXQZYBRTRL-UHFFFAOYSA-N
MW254.25 g/mol
LogP1.80
Rot. Bonds2

About 2-(3-methylimidazo[1,5-a]pyridin-1-yl)pyrimidine-5-carboxylic acid

2-(3-methylimidazo[1,5-a]pyridin-1-yl)pyrimidine-5-carboxylic acid (PubChem CID 169159865) has the molecular formula C13H10N4O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 2-(3-methylimidazo[1,5-a]pyridin-1-yl)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(3-methylimidazo[1,5-a]pyridin-1-yl)pyrimidine-5-carboxylic acid
PubChem CID169159865
Molecular FormulaC13H10N4O2
Molecular Weight254.25 g/mol
Exact Mass254.08
IUPAC Name2-(3-methylimidazo[1,5-a]pyridin-1-yl)pyrimidine-5-carboxylic acid
SMILESCc1nc(-c2ncc(C(=O)O)cn2)c2ccccn12
InChIInChI=1S/C13H10N4O2/c1-8-16-11(10-4-2-3-5-17(8)10)12-14-6-9(7-15-12)13(18)19/h2-7H,1H3,(H,18,19)
InChIKeyGEBXOXQZYBRTRL-UHFFFAOYSA-N
XLogP1.80
TPSA80.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylimidazo[1,5-a]pyridin-1-yl)pyrimidine-5-carboxylic acid?
The IUPAC name of 2-(3-methylimidazo[1,5-a]pyridin-1-yl)pyrimidine-5-carboxylic acid (CID 169159865) is 2-(3-methylimidazo[1,5-a]pyridin-1-yl)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(3-methylimidazo[1,5-a]pyridin-1-yl)pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(3-methylimidazo[1,5-a]pyridin-1-yl)pyrimidine-5-carboxylic acid is Cc1nc(-c2ncc(C(=O)O)cn2)c2ccccn12.
What is the InChIKey of 2-(3-methylimidazo[1,5-a]pyridin-1-yl)pyrimidine-5-carboxylic acid?
The InChIKey is GEBXOXQZYBRTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O2/c1-8-16-11(10-4-2-3-5-17(8)10)12-14-6-9(7-15-12)13(18)19/h2-7H,1H3,(H,18,19).
What are the key properties of 2-(3-methylimidazo[1,5-a]pyridin-1-yl)pyrimidine-5-carboxylic acid?
2-(3-methylimidazo[1,5-a]pyridin-1-yl)pyrimidine-5-carboxylic acid has a molecular weight of 254.25 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylimidazo[1,5-a]pyridin-1-yl)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 169159865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).