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

C17H21N5O3S — CID 138809822

IUPAC5-(1-imidazo[1,2-a]pyridin-3-ylsulfonylpiperidin-4-yl)-3-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1noc(C2CCN(S(=O)(=O)c3cnc4ccccn34)CC2)n1
InChIInChI=1S/C17H21N5O3S/c1-12(2)16-19-17(25-20-16)13-6-9-21(10-7-13)26(23,24)15-11-18-14-5-3-4-8-22(14)15/h3-5,8,11-13H,6-7,9-10H2,1-2H3
InChIKeyLUTBMYYIDXZCGF-UHFFFAOYSA-N
MW375.45 g/mol
LogP2.41
Rot. Bonds4

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

5-(1-imidazo[1,2-a]pyridin-3-ylsulfonylpiperidin-4-yl)-3-propan-2-yl-1,2,4-oxadiazole (PubChem CID 138809822) has the molecular formula C17H21N5O3S and a molecular weight of 375.45 g/mol. Its IUPAC name is 5-(1-imidazo[1,2-a]pyridin-3-ylsulfonylpiperidin-4-yl)-3-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1-imidazo[1,2-a]pyridin-3-ylsulfonylpiperidin-4-yl)-3-propan-2-yl-1,2,4-oxadiazole
PubChem CID138809822
Molecular FormulaC17H21N5O3S
Molecular Weight375.45 g/mol
Exact Mass375.14
IUPAC Name5-(1-imidazo[1,2-a]pyridin-3-ylsulfonylpiperidin-4-yl)-3-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1noc(C2CCN(S(=O)(=O)c3cnc4ccccn34)CC2)n1
InChIInChI=1S/C17H21N5O3S/c1-12(2)16-19-17(25-20-16)13-6-9-21(10-7-13)26(23,24)15-11-18-14-5-3-4-8-22(14)15/h3-5,8,11-13H,6-7,9-10H2,1-2H3
InChIKeyLUTBMYYIDXZCGF-UHFFFAOYSA-N
XLogP2.41
TPSA93.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(1-imidazo[1,2-a]pyridin-3-ylsulfonylpiperidin-4-yl)-3-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(1-imidazo[1,2-a]pyridin-3-ylsulfonylpiperidin-4-yl)-3-propan-2-yl-1,2,4-oxadiazole (CID 138809822) is 5-(1-imidazo[1,2-a]pyridin-3-ylsulfonylpiperidin-4-yl)-3-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1-imidazo[1,2-a]pyridin-3-ylsulfonylpiperidin-4-yl)-3-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(1-imidazo[1,2-a]pyridin-3-ylsulfonylpiperidin-4-yl)-3-propan-2-yl-1,2,4-oxadiazole is CC(C)c1noc(C2CCN(S(=O)(=O)c3cnc4ccccn34)CC2)n1.
What is the InChIKey of 5-(1-imidazo[1,2-a]pyridin-3-ylsulfonylpiperidin-4-yl)-3-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is LUTBMYYIDXZCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3S/c1-12(2)16-19-17(25-20-16)13-6-9-21(10-7-13)26(23,24)15-11-18-14-5-3-4-8-22(14)15/h3-5,8,11-13H,6-7,9-10H2,1-2H3.
What are the key properties of 5-(1-imidazo[1,2-a]pyridin-3-ylsulfonylpiperidin-4-yl)-3-propan-2-yl-1,2,4-oxadiazole?
5-(1-imidazo[1,2-a]pyridin-3-ylsulfonylpiperidin-4-yl)-3-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 375.45 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-imidazo[1,2-a]pyridin-3-ylsulfonylpiperidin-4-yl)-3-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 138809822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).