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

C23H21N7O2 — CID 59471783

IUPAC[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone
SMILESNc1ncc(-c2ccc(C(=O)N3CCNCC3)cc2)nc1-c1nnc(-c2ccccc2)o1
InChIInChI=1S/C23H21N7O2/c24-20-19(22-29-28-21(32-22)16-4-2-1-3-5-16)27-18(14-26-20)15-6-8-17(9-7-15)23(31)30-12-10-25-11-13-30/h1-9,14,25H,10-13H2,(H2,24,26)
InChIKeyHLSFRVLXAXJEBS-UHFFFAOYSA-N
MW427.47 g/mol
LogP2.49
Rot. Bonds4

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

[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone (PubChem CID 59471783) has the molecular formula C23H21N7O2 and a molecular weight of 427.47 g/mol. Its IUPAC name is [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone
PubChem CID59471783
Molecular FormulaC23H21N7O2
Molecular Weight427.47 g/mol
Exact Mass427.18
IUPAC Name[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone
SMILESNc1ncc(-c2ccc(C(=O)N3CCNCC3)cc2)nc1-c1nnc(-c2ccccc2)o1
InChIInChI=1S/C23H21N7O2/c24-20-19(22-29-28-21(32-22)16-4-2-1-3-5-16)27-18(14-26-20)15-6-8-17(9-7-15)23(31)30-12-10-25-11-13-30/h1-9,14,25H,10-13H2,(H2,24,26)
InChIKeyHLSFRVLXAXJEBS-UHFFFAOYSA-N
XLogP2.49
TPSA123.06 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.47
LogP ≤ 52.49
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]phenyl]-piperazin-1-ylmethanone?
The IUPAC name of [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone (CID 59471783) is [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone.
What is the SMILES notation for [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone?
The canonical SMILES for [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone is Nc1ncc(-c2ccc(C(=O)N3CCNCC3)cc2)nc1-c1nnc(-c2ccccc2)o1.
What is the InChIKey of [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone?
The InChIKey is HLSFRVLXAXJEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N7O2/c24-20-19(22-29-28-21(32-22)16-4-2-1-3-5-16)27-18(14-26-20)15-6-8-17(9-7-15)23(31)30-12-10-25-11-13-30/h1-9,14,25H,10-13H2,(H2,24,26).
What are the key properties of [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone?
[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone has a molecular weight of 427.47 g/mol, XLogP of 2.49, 4 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]phenyl]-piperazin-1-ylmethanone is sourced from PubChem (CID 59471783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).