methyl 3-(1-ethylpyrrolidin-2-yl)imidazo[1,5-a]pyridine-8-carboxylate

C15H19N3O2 — CID 117147526

IUPACmethyl 3-(1-ethylpyrrolidin-2-yl)imidazo[1,5-a]pyridine-8-carboxylate
SMILESCCN1CCCC1c1ncc2c(C(=O)OC)cccn12
InChIInChI=1S/C15H19N3O2/c1-3-17-8-5-7-12(17)14-16-10-13-11(15(19)20-2)6-4-9-18(13)14/h4,6,9-10,12H,3,5,7-8H2,1-2H3
InChIKeyVGXIZIXPLUXNGP-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.28
Rot. Bonds3

About methyl 3-(1-ethylpyrrolidin-2-yl)imidazo[1,5-a]pyridine-8-carboxylate

methyl 3-(1-ethylpyrrolidin-2-yl)imidazo[1,5-a]pyridine-8-carboxylate (PubChem CID 117147526) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is methyl 3-(1-ethylpyrrolidin-2-yl)imidazo[1,5-a]pyridine-8-carboxylate.

Molecular Properties

Compound Namemethyl 3-(1-ethylpyrrolidin-2-yl)imidazo[1,5-a]pyridine-8-carboxylate
PubChem CID117147526
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Namemethyl 3-(1-ethylpyrrolidin-2-yl)imidazo[1,5-a]pyridine-8-carboxylate
SMILESCCN1CCCC1c1ncc2c(C(=O)OC)cccn12
InChIInChI=1S/C15H19N3O2/c1-3-17-8-5-7-12(17)14-16-10-13-11(15(19)20-2)6-4-9-18(13)14/h4,6,9-10,12H,3,5,7-8H2,1-2H3
InChIKeyVGXIZIXPLUXNGP-UHFFFAOYSA-N
XLogP2.28
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(1-ethylpyrrolidin-2-yl)imidazo[1,5-a]pyridine-8-carboxylate?
The IUPAC name of methyl 3-(1-ethylpyrrolidin-2-yl)imidazo[1,5-a]pyridine-8-carboxylate (CID 117147526) is methyl 3-(1-ethylpyrrolidin-2-yl)imidazo[1,5-a]pyridine-8-carboxylate.
What is the SMILES notation for methyl 3-(1-ethylpyrrolidin-2-yl)imidazo[1,5-a]pyridine-8-carboxylate?
The canonical SMILES for methyl 3-(1-ethylpyrrolidin-2-yl)imidazo[1,5-a]pyridine-8-carboxylate is CCN1CCCC1c1ncc2c(C(=O)OC)cccn12.
What is the InChIKey of methyl 3-(1-ethylpyrrolidin-2-yl)imidazo[1,5-a]pyridine-8-carboxylate?
The InChIKey is VGXIZIXPLUXNGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-3-17-8-5-7-12(17)14-16-10-13-11(15(19)20-2)6-4-9-18(13)14/h4,6,9-10,12H,3,5,7-8H2,1-2H3.
What are the key properties of methyl 3-(1-ethylpyrrolidin-2-yl)imidazo[1,5-a]pyridine-8-carboxylate?
methyl 3-(1-ethylpyrrolidin-2-yl)imidazo[1,5-a]pyridine-8-carboxylate has a molecular weight of 273.34 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(1-ethylpyrrolidin-2-yl)imidazo[1,5-a]pyridine-8-carboxylate is sourced from PubChem (CID 117147526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).