1-(3-cyanophenoxy)propan-2-yl 3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylate

C19H21N3O3 — CID 75381404

IUPAC1-(3-cyanophenoxy)propan-2-yl 3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylate
SMILESCc1nc(C(=O)OC(C)COc2cccc(C#N)c2)c2n1CCCC2
InChIInChI=1S/C19H21N3O3/c1-13(12-24-16-7-5-6-15(10-16)11-20)25-19(23)18-17-8-3-4-9-22(17)14(2)21-18/h5-7,10,13H,3-4,8-9,12H2,1-2H3
InChIKeyUXZTVIIUMISEFG-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.02
Rot. Bonds5

About 1-(3-cyanophenoxy)propan-2-yl 3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylate

1-(3-cyanophenoxy)propan-2-yl 3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylate (PubChem CID 75381404) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 1-(3-cyanophenoxy)propan-2-yl 3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylate.

Molecular Properties

Compound Name1-(3-cyanophenoxy)propan-2-yl 3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylate
PubChem CID75381404
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name1-(3-cyanophenoxy)propan-2-yl 3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylate
SMILESCc1nc(C(=O)OC(C)COc2cccc(C#N)c2)c2n1CCCC2
InChIInChI=1S/C19H21N3O3/c1-13(12-24-16-7-5-6-15(10-16)11-20)25-19(23)18-17-8-3-4-9-22(17)14(2)21-18/h5-7,10,13H,3-4,8-9,12H2,1-2H3
InChIKeyUXZTVIIUMISEFG-UHFFFAOYSA-N
XLogP3.02
TPSA77.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyanophenoxy)propan-2-yl 3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylate?
The IUPAC name of 1-(3-cyanophenoxy)propan-2-yl 3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylate (CID 75381404) is 1-(3-cyanophenoxy)propan-2-yl 3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylate.
What is the SMILES notation for 1-(3-cyanophenoxy)propan-2-yl 3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylate?
The canonical SMILES for 1-(3-cyanophenoxy)propan-2-yl 3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylate is Cc1nc(C(=O)OC(C)COc2cccc(C#N)c2)c2n1CCCC2.
What is the InChIKey of 1-(3-cyanophenoxy)propan-2-yl 3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylate?
The InChIKey is UXZTVIIUMISEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-13(12-24-16-7-5-6-15(10-16)11-20)25-19(23)18-17-8-3-4-9-22(17)14(2)21-18/h5-7,10,13H,3-4,8-9,12H2,1-2H3.
What are the key properties of 1-(3-cyanophenoxy)propan-2-yl 3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylate?
1-(3-cyanophenoxy)propan-2-yl 3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylate has a molecular weight of 339.40 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyanophenoxy)propan-2-yl 3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylate is sourced from PubChem (CID 75381404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).