[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]methyl 3-methylimidazo[1,5-a]pyridine-1-carboxylate

C16H19N3O3 — CID 97219335

IUPAC[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]methyl 3-methylimidazo[1,5-a]pyridine-1-carboxylate
SMILESCCN1C[C@H](COC(=O)c2nc(C)n3ccccc23)CC1=O
InChIInChI=1S/C16H19N3O3/c1-3-18-9-12(8-14(18)20)10-22-16(21)15-13-6-4-5-7-19(13)11(2)17-15/h4-7,12H,3,8-10H2,1-2H3/t12-/m1/s1
InChIKeyHGXISUWJEQHXPZ-GFCCVEGCSA-N
MW301.35 g/mol
LogP1.67
Rot. Bonds4

About [(3R)-1-ethyl-5-oxopyrrolidin-3-yl]methyl 3-methylimidazo[1,5-a]pyridine-1-carboxylate

[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]methyl 3-methylimidazo[1,5-a]pyridine-1-carboxylate (PubChem CID 97219335) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is [(3R)-1-ethyl-5-oxopyrrolidin-3-yl]methyl 3-methylimidazo[1,5-a]pyridine-1-carboxylate.

Molecular Properties

Compound Name[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]methyl 3-methylimidazo[1,5-a]pyridine-1-carboxylate
PubChem CID97219335
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]methyl 3-methylimidazo[1,5-a]pyridine-1-carboxylate
SMILESCCN1C[C@H](COC(=O)c2nc(C)n3ccccc23)CC1=O
InChIInChI=1S/C16H19N3O3/c1-3-18-9-12(8-14(18)20)10-22-16(21)15-13-6-4-5-7-19(13)11(2)17-15/h4-7,12H,3,8-10H2,1-2H3/t12-/m1/s1
InChIKeyHGXISUWJEQHXPZ-GFCCVEGCSA-N
XLogP1.67
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3R)-1-ethyl-5-oxopyrrolidin-3-yl]methyl 3-methylimidazo[1,5-a]pyridine-1-carboxylate?
The IUPAC name of [(3R)-1-ethyl-5-oxopyrrolidin-3-yl]methyl 3-methylimidazo[1,5-a]pyridine-1-carboxylate (CID 97219335) is [(3R)-1-ethyl-5-oxopyrrolidin-3-yl]methyl 3-methylimidazo[1,5-a]pyridine-1-carboxylate.
What is the SMILES notation for [(3R)-1-ethyl-5-oxopyrrolidin-3-yl]methyl 3-methylimidazo[1,5-a]pyridine-1-carboxylate?
The canonical SMILES for [(3R)-1-ethyl-5-oxopyrrolidin-3-yl]methyl 3-methylimidazo[1,5-a]pyridine-1-carboxylate is CCN1C[C@H](COC(=O)c2nc(C)n3ccccc23)CC1=O.
What is the InChIKey of [(3R)-1-ethyl-5-oxopyrrolidin-3-yl]methyl 3-methylimidazo[1,5-a]pyridine-1-carboxylate?
The InChIKey is HGXISUWJEQHXPZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-3-18-9-12(8-14(18)20)10-22-16(21)15-13-6-4-5-7-19(13)11(2)17-15/h4-7,12H,3,8-10H2,1-2H3/t12-/m1/s1.
What are the key properties of [(3R)-1-ethyl-5-oxopyrrolidin-3-yl]methyl 3-methylimidazo[1,5-a]pyridine-1-carboxylate?
[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]methyl 3-methylimidazo[1,5-a]pyridine-1-carboxylate has a molecular weight of 301.35 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-ethyl-5-oxopyrrolidin-3-yl]methyl 3-methylimidazo[1,5-a]pyridine-1-carboxylate is sourced from PubChem (CID 97219335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).