3-imidazo[1,2-a]pyrazin-3-yl-5-[(2R,4R)-2-methylpiperidin-4-yl]-1,2,4-oxadiazole

C14H16N6O — CID 136588574

IUPAC3-imidazo[1,2-a]pyrazin-3-yl-5-[(2R,4R)-2-methylpiperidin-4-yl]-1,2,4-oxadiazole
SMILESC[C@@H]1C[C@H](c2nc(-c3cnc4cnccn34)no2)CCN1
InChIInChI=1S/C14H16N6O/c1-9-6-10(2-3-16-9)14-18-13(19-21-14)11-7-17-12-8-15-4-5-20(11)12/h4-5,7-10,16H,2-3,6H2,1H3/t9-,10-/m1/s1
InChIKeyRJDKVSCRIKAUHT-NXEZZACHSA-N
MW284.32 g/mol
LogP1.63
Rot. Bonds2

About 3-imidazo[1,2-a]pyrazin-3-yl-5-[(2R,4R)-2-methylpiperidin-4-yl]-1,2,4-oxadiazole

3-imidazo[1,2-a]pyrazin-3-yl-5-[(2R,4R)-2-methylpiperidin-4-yl]-1,2,4-oxadiazole (PubChem CID 136588574) has the molecular formula C14H16N6O and a molecular weight of 284.32 g/mol. Its IUPAC name is 3-imidazo[1,2-a]pyrazin-3-yl-5-[(2R,4R)-2-methylpiperidin-4-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-imidazo[1,2-a]pyrazin-3-yl-5-[(2R,4R)-2-methylpiperidin-4-yl]-1,2,4-oxadiazole
PubChem CID136588574
Molecular FormulaC14H16N6O
Molecular Weight284.32 g/mol
Exact Mass284.14
IUPAC Name3-imidazo[1,2-a]pyrazin-3-yl-5-[(2R,4R)-2-methylpiperidin-4-yl]-1,2,4-oxadiazole
SMILESC[C@@H]1C[C@H](c2nc(-c3cnc4cnccn34)no2)CCN1
InChIInChI=1S/C14H16N6O/c1-9-6-10(2-3-16-9)14-18-13(19-21-14)11-7-17-12-8-15-4-5-20(11)12/h4-5,7-10,16H,2-3,6H2,1H3/t9-,10-/m1/s1
InChIKeyRJDKVSCRIKAUHT-NXEZZACHSA-N
XLogP1.63
TPSA81.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-imidazo[1,2-a]pyrazin-3-yl-5-[(2R,4R)-2-methylpiperidin-4-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-imidazo[1,2-a]pyrazin-3-yl-5-[(2R,4R)-2-methylpiperidin-4-yl]-1,2,4-oxadiazole (CID 136588574) is 3-imidazo[1,2-a]pyrazin-3-yl-5-[(2R,4R)-2-methylpiperidin-4-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-imidazo[1,2-a]pyrazin-3-yl-5-[(2R,4R)-2-methylpiperidin-4-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-imidazo[1,2-a]pyrazin-3-yl-5-[(2R,4R)-2-methylpiperidin-4-yl]-1,2,4-oxadiazole is C[C@@H]1C[C@H](c2nc(-c3cnc4cnccn34)no2)CCN1.
What is the InChIKey of 3-imidazo[1,2-a]pyrazin-3-yl-5-[(2R,4R)-2-methylpiperidin-4-yl]-1,2,4-oxadiazole?
The InChIKey is RJDKVSCRIKAUHT-NXEZZACHSA-N. The full InChI is InChI=1S/C14H16N6O/c1-9-6-10(2-3-16-9)14-18-13(19-21-14)11-7-17-12-8-15-4-5-20(11)12/h4-5,7-10,16H,2-3,6H2,1H3/t9-,10-/m1/s1.
What are the key properties of 3-imidazo[1,2-a]pyrazin-3-yl-5-[(2R,4R)-2-methylpiperidin-4-yl]-1,2,4-oxadiazole?
3-imidazo[1,2-a]pyrazin-3-yl-5-[(2R,4R)-2-methylpiperidin-4-yl]-1,2,4-oxadiazole has a molecular weight of 284.32 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazo[1,2-a]pyrazin-3-yl-5-[(2R,4R)-2-methylpiperidin-4-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 136588574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).