2-(1-methoxycarbonyl-5-methylimidazo[1,5-a]pyridin-3-yl)acetic acid

C12H12N2O4 — CID 117253362

IUPAC2-(1-methoxycarbonyl-5-methylimidazo[1,5-a]pyridin-3-yl)acetic acid
SMILESCOC(=O)c1nc(CC(=O)O)n2c(C)cccc12
InChIInChI=1S/C12H12N2O4/c1-7-4-3-5-8-11(12(17)18-2)13-9(14(7)8)6-10(15)16/h3-5H,6H2,1-2H3,(H,15,16)
InChIKeyPWBMMFBMSHHTIT-UHFFFAOYSA-N
MW248.24 g/mol
LogP1.06
Rot. Bonds3

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

2-(1-methoxycarbonyl-5-methylimidazo[1,5-a]pyridin-3-yl)acetic acid (PubChem CID 117253362) has the molecular formula C12H12N2O4 and a molecular weight of 248.24 g/mol. Its IUPAC name is 2-(1-methoxycarbonyl-5-methylimidazo[1,5-a]pyridin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(1-methoxycarbonyl-5-methylimidazo[1,5-a]pyridin-3-yl)acetic acid
PubChem CID117253362
Molecular FormulaC12H12N2O4
Molecular Weight248.24 g/mol
Exact Mass248.08
IUPAC Name2-(1-methoxycarbonyl-5-methylimidazo[1,5-a]pyridin-3-yl)acetic acid
SMILESCOC(=O)c1nc(CC(=O)O)n2c(C)cccc12
InChIInChI=1S/C12H12N2O4/c1-7-4-3-5-8-11(12(17)18-2)13-9(14(7)8)6-10(15)16/h3-5H,6H2,1-2H3,(H,15,16)
InChIKeyPWBMMFBMSHHTIT-UHFFFAOYSA-N
XLogP1.06
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxycarbonyl-5-methylimidazo[1,5-a]pyridin-3-yl)acetic acid?
The IUPAC name of 2-(1-methoxycarbonyl-5-methylimidazo[1,5-a]pyridin-3-yl)acetic acid (CID 117253362) is 2-(1-methoxycarbonyl-5-methylimidazo[1,5-a]pyridin-3-yl)acetic acid.
What is the SMILES notation for 2-(1-methoxycarbonyl-5-methylimidazo[1,5-a]pyridin-3-yl)acetic acid?
The canonical SMILES for 2-(1-methoxycarbonyl-5-methylimidazo[1,5-a]pyridin-3-yl)acetic acid is COC(=O)c1nc(CC(=O)O)n2c(C)cccc12.
What is the InChIKey of 2-(1-methoxycarbonyl-5-methylimidazo[1,5-a]pyridin-3-yl)acetic acid?
The InChIKey is PWBMMFBMSHHTIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4/c1-7-4-3-5-8-11(12(17)18-2)13-9(14(7)8)6-10(15)16/h3-5H,6H2,1-2H3,(H,15,16).
What are the key properties of 2-(1-methoxycarbonyl-5-methylimidazo[1,5-a]pyridin-3-yl)acetic acid?
2-(1-methoxycarbonyl-5-methylimidazo[1,5-a]pyridin-3-yl)acetic acid has a molecular weight of 248.24 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxycarbonyl-5-methylimidazo[1,5-a]pyridin-3-yl)acetic acid is sourced from PubChem (CID 117253362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).