7-methoxycarbonyl-3-(oxolan-3-yl)imidazo[1,5-a]pyridine-1-carboxylic acid

C14H14N2O5 — CID 117251578

IUPAC7-methoxycarbonyl-3-(oxolan-3-yl)imidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCOC(=O)c1ccn2c(C3CCOC3)nc(C(=O)O)c2c1
InChIInChI=1S/C14H14N2O5/c1-20-14(19)8-2-4-16-10(6-8)11(13(17)18)15-12(16)9-3-5-21-7-9/h2,4,6,9H,3,5,7H2,1H3,(H,17,18)
InChIKeyRSEBBMNEVBVNJQ-UHFFFAOYSA-N
MW290.28 g/mol
LogP1.32
Rot. Bonds3

About 7-methoxycarbonyl-3-(oxolan-3-yl)imidazo[1,5-a]pyridine-1-carboxylic acid

7-methoxycarbonyl-3-(oxolan-3-yl)imidazo[1,5-a]pyridine-1-carboxylic acid (PubChem CID 117251578) has the molecular formula C14H14N2O5 and a molecular weight of 290.28 g/mol. Its IUPAC name is 7-methoxycarbonyl-3-(oxolan-3-yl)imidazo[1,5-a]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name7-methoxycarbonyl-3-(oxolan-3-yl)imidazo[1,5-a]pyridine-1-carboxylic acid
PubChem CID117251578
Molecular FormulaC14H14N2O5
Molecular Weight290.28 g/mol
Exact Mass290.09
IUPAC Name7-methoxycarbonyl-3-(oxolan-3-yl)imidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCOC(=O)c1ccn2c(C3CCOC3)nc(C(=O)O)c2c1
InChIInChI=1S/C14H14N2O5/c1-20-14(19)8-2-4-16-10(6-8)11(13(17)18)15-12(16)9-3-5-21-7-9/h2,4,6,9H,3,5,7H2,1H3,(H,17,18)
InChIKeyRSEBBMNEVBVNJQ-UHFFFAOYSA-N
XLogP1.32
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-methoxycarbonyl-3-(oxolan-3-yl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The IUPAC name of 7-methoxycarbonyl-3-(oxolan-3-yl)imidazo[1,5-a]pyridine-1-carboxylic acid (CID 117251578) is 7-methoxycarbonyl-3-(oxolan-3-yl)imidazo[1,5-a]pyridine-1-carboxylic acid.
What is the SMILES notation for 7-methoxycarbonyl-3-(oxolan-3-yl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The canonical SMILES for 7-methoxycarbonyl-3-(oxolan-3-yl)imidazo[1,5-a]pyridine-1-carboxylic acid is COC(=O)c1ccn2c(C3CCOC3)nc(C(=O)O)c2c1.
What is the InChIKey of 7-methoxycarbonyl-3-(oxolan-3-yl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The InChIKey is RSEBBMNEVBVNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O5/c1-20-14(19)8-2-4-16-10(6-8)11(13(17)18)15-12(16)9-3-5-21-7-9/h2,4,6,9H,3,5,7H2,1H3,(H,17,18).
What are the key properties of 7-methoxycarbonyl-3-(oxolan-3-yl)imidazo[1,5-a]pyridine-1-carboxylic acid?
7-methoxycarbonyl-3-(oxolan-3-yl)imidazo[1,5-a]pyridine-1-carboxylic acid has a molecular weight of 290.28 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxycarbonyl-3-(oxolan-3-yl)imidazo[1,5-a]pyridine-1-carboxylic acid is sourced from PubChem (CID 117251578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).