2-(3-propan-2-ylimidazo[1,5-a]pyridin-1-yl)-5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazole

C20H27N5O — CID 127039505

IUPAC2-(3-propan-2-ylimidazo[1,5-a]pyridin-1-yl)-5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazole
SMILESCC(C)c1nc(-c2nnc(C3CCN(C(C)C)CC3)o2)c2ccccn12
InChIInChI=1S/C20H27N5O/c1-13(2)18-21-17(16-7-5-6-10-25(16)18)20-23-22-19(26-20)15-8-11-24(12-9-15)14(3)4/h5-7,10,13-15H,8-9,11-12H2,1-4H3
InChIKeyPDFYCKFWESZNCX-UHFFFAOYSA-N
MW353.47 g/mol
LogP4.10
Rot. Bonds4

About 2-(3-propan-2-ylimidazo[1,5-a]pyridin-1-yl)-5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazole

2-(3-propan-2-ylimidazo[1,5-a]pyridin-1-yl)-5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazole (PubChem CID 127039505) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-(3-propan-2-ylimidazo[1,5-a]pyridin-1-yl)-5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3-propan-2-ylimidazo[1,5-a]pyridin-1-yl)-5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazole
PubChem CID127039505
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name2-(3-propan-2-ylimidazo[1,5-a]pyridin-1-yl)-5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazole
SMILESCC(C)c1nc(-c2nnc(C3CCN(C(C)C)CC3)o2)c2ccccn12
InChIInChI=1S/C20H27N5O/c1-13(2)18-21-17(16-7-5-6-10-25(16)18)20-23-22-19(26-20)15-8-11-24(12-9-15)14(3)4/h5-7,10,13-15H,8-9,11-12H2,1-4H3
InChIKeyPDFYCKFWESZNCX-UHFFFAOYSA-N
XLogP4.10
TPSA59.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-propan-2-ylimidazo[1,5-a]pyridin-1-yl)-5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(3-propan-2-ylimidazo[1,5-a]pyridin-1-yl)-5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazole (CID 127039505) is 2-(3-propan-2-ylimidazo[1,5-a]pyridin-1-yl)-5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3-propan-2-ylimidazo[1,5-a]pyridin-1-yl)-5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(3-propan-2-ylimidazo[1,5-a]pyridin-1-yl)-5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazole is CC(C)c1nc(-c2nnc(C3CCN(C(C)C)CC3)o2)c2ccccn12.
What is the InChIKey of 2-(3-propan-2-ylimidazo[1,5-a]pyridin-1-yl)-5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazole?
The InChIKey is PDFYCKFWESZNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-13(2)18-21-17(16-7-5-6-10-25(16)18)20-23-22-19(26-20)15-8-11-24(12-9-15)14(3)4/h5-7,10,13-15H,8-9,11-12H2,1-4H3.
What are the key properties of 2-(3-propan-2-ylimidazo[1,5-a]pyridin-1-yl)-5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazole?
2-(3-propan-2-ylimidazo[1,5-a]pyridin-1-yl)-5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazole has a molecular weight of 353.47 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-propan-2-ylimidazo[1,5-a]pyridin-1-yl)-5-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 127039505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).