[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-1,2,3,6-tetrahydropyridin-6-yl]-cyclobutylmethanone

C22H22N6O2 — CID 67418383

IUPAC[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-1,2,3,6-tetrahydropyridin-6-yl]-cyclobutylmethanone
SMILESNc1ncc(C2=CC(C(=O)C3CCC3)NCC2)nc1-c1nnc(-c2ccccc2)o1
InChIInChI=1S/C22H22N6O2/c23-20-18(22-28-27-21(30-22)14-5-2-1-3-6-14)26-17(12-25-20)15-9-10-24-16(11-15)19(29)13-7-4-8-13/h1-3,5-6,11-13,16,24H,4,7-10H2,(H2,23,25)
InChIKeyYRUOQFZTSDEZNS-UHFFFAOYSA-N
MW402.46 g/mol
LogP2.89
Rot. Bonds5

About [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-1,2,3,6-tetrahydropyridin-6-yl]-cyclobutylmethanone

[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-1,2,3,6-tetrahydropyridin-6-yl]-cyclobutylmethanone (PubChem CID 67418383) has the molecular formula C22H22N6O2 and a molecular weight of 402.46 g/mol. Its IUPAC name is [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-1,2,3,6-tetrahydropyridin-6-yl]-cyclobutylmethanone.

Molecular Properties

Compound Name[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-1,2,3,6-tetrahydropyridin-6-yl]-cyclobutylmethanone
PubChem CID67418383
Molecular FormulaC22H22N6O2
Molecular Weight402.46 g/mol
Exact Mass402.18
IUPAC Name[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-1,2,3,6-tetrahydropyridin-6-yl]-cyclobutylmethanone
SMILESNc1ncc(C2=CC(C(=O)C3CCC3)NCC2)nc1-c1nnc(-c2ccccc2)o1
InChIInChI=1S/C22H22N6O2/c23-20-18(22-28-27-21(30-22)14-5-2-1-3-6-14)26-17(12-25-20)15-9-10-24-16(11-15)19(29)13-7-4-8-13/h1-3,5-6,11-13,16,24H,4,7-10H2,(H2,23,25)
InChIKeyYRUOQFZTSDEZNS-UHFFFAOYSA-N
XLogP2.89
TPSA119.82 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-1,2,3,6-tetrahydropyridin-6-yl]-cyclobutylmethanone?
The IUPAC name of [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-1,2,3,6-tetrahydropyridin-6-yl]-cyclobutylmethanone (CID 67418383) is [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-1,2,3,6-tetrahydropyridin-6-yl]-cyclobutylmethanone.
What is the SMILES notation for [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-1,2,3,6-tetrahydropyridin-6-yl]-cyclobutylmethanone?
The canonical SMILES for [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-1,2,3,6-tetrahydropyridin-6-yl]-cyclobutylmethanone is Nc1ncc(C2=CC(C(=O)C3CCC3)NCC2)nc1-c1nnc(-c2ccccc2)o1.
What is the InChIKey of [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-1,2,3,6-tetrahydropyridin-6-yl]-cyclobutylmethanone?
The InChIKey is YRUOQFZTSDEZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2/c23-20-18(22-28-27-21(30-22)14-5-2-1-3-6-14)26-17(12-25-20)15-9-10-24-16(11-15)19(29)13-7-4-8-13/h1-3,5-6,11-13,16,24H,4,7-10H2,(H2,23,25).
What are the key properties of [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-1,2,3,6-tetrahydropyridin-6-yl]-cyclobutylmethanone?
[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-1,2,3,6-tetrahydropyridin-6-yl]-cyclobutylmethanone has a molecular weight of 402.46 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-1,2,3,6-tetrahydropyridin-6-yl]-cyclobutylmethanone is sourced from PubChem (CID 67418383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).