(1-methoxy-3-methylbutan-2-yl) imidazo[1,5-a]pyridine-7-carboxylate

C14H18N2O3 — CID 75483263

IUPAC(1-methoxy-3-methylbutan-2-yl) imidazo[1,5-a]pyridine-7-carboxylate
SMILESCOCC(OC(=O)c1ccn2cncc2c1)C(C)C
InChIInChI=1S/C14H18N2O3/c1-10(2)13(8-18-3)19-14(17)11-4-5-16-9-15-7-12(16)6-11/h4-7,9-10,13H,8H2,1-3H3
InChIKeyOYIKUFSLZIAUPG-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.16
Rot. Bonds5

About (1-methoxy-3-methylbutan-2-yl) imidazo[1,5-a]pyridine-7-carboxylate

(1-methoxy-3-methylbutan-2-yl) imidazo[1,5-a]pyridine-7-carboxylate (PubChem CID 75483263) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is (1-methoxy-3-methylbutan-2-yl) imidazo[1,5-a]pyridine-7-carboxylate.

Molecular Properties

Compound Name(1-methoxy-3-methylbutan-2-yl) imidazo[1,5-a]pyridine-7-carboxylate
PubChem CID75483263
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name(1-methoxy-3-methylbutan-2-yl) imidazo[1,5-a]pyridine-7-carboxylate
SMILESCOCC(OC(=O)c1ccn2cncc2c1)C(C)C
InChIInChI=1S/C14H18N2O3/c1-10(2)13(8-18-3)19-14(17)11-4-5-16-9-15-7-12(16)6-11/h4-7,9-10,13H,8H2,1-3H3
InChIKeyOYIKUFSLZIAUPG-UHFFFAOYSA-N
XLogP2.16
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-methoxy-3-methylbutan-2-yl) imidazo[1,5-a]pyridine-7-carboxylate?
The IUPAC name of (1-methoxy-3-methylbutan-2-yl) imidazo[1,5-a]pyridine-7-carboxylate (CID 75483263) is (1-methoxy-3-methylbutan-2-yl) imidazo[1,5-a]pyridine-7-carboxylate.
What is the SMILES notation for (1-methoxy-3-methylbutan-2-yl) imidazo[1,5-a]pyridine-7-carboxylate?
The canonical SMILES for (1-methoxy-3-methylbutan-2-yl) imidazo[1,5-a]pyridine-7-carboxylate is COCC(OC(=O)c1ccn2cncc2c1)C(C)C.
What is the InChIKey of (1-methoxy-3-methylbutan-2-yl) imidazo[1,5-a]pyridine-7-carboxylate?
The InChIKey is OYIKUFSLZIAUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-10(2)13(8-18-3)19-14(17)11-4-5-16-9-15-7-12(16)6-11/h4-7,9-10,13H,8H2,1-3H3.
What are the key properties of (1-methoxy-3-methylbutan-2-yl) imidazo[1,5-a]pyridine-7-carboxylate?
(1-methoxy-3-methylbutan-2-yl) imidazo[1,5-a]pyridine-7-carboxylate has a molecular weight of 262.31 g/mol, XLogP of 2.16, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxy-3-methylbutan-2-yl) imidazo[1,5-a]pyridine-7-carboxylate is sourced from PubChem (CID 75483263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).