1-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-1-yl]-2-phenylethanone;molecular hydrogen

C25H26N6O2 — CID 159144483

IUPAC1-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-1-yl]-2-phenylethanone;molecular hydrogen
SMILESCc1ncc(N2CCN(C(=O)Cc3ccccc3)CC2)nc1-c1nnc(-c2ccccc2)o1.[H][H]
InChIInChI=1S/C25H24N6O2.H2/c1-18-23(25-29-28-24(33-25)20-10-6-3-7-11-20)27-21(17-26-18)30-12-14-31(15-13-30)22(32)16-19-8-4-2-5-9-19;/h2-11,17H,12-16H2,1H3;1H
InChIKeyKIMVRLHRIKEMCM-UHFFFAOYSA-N
MW442.52 g/mol
LogP3.64
Rot. Bonds5

About 1-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-1-yl]-2-phenylethanone;molecular hydrogen

1-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-1-yl]-2-phenylethanone;molecular hydrogen (PubChem CID 159144483) has the molecular formula C25H26N6O2 and a molecular weight of 442.52 g/mol. Its IUPAC name is 1-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-1-yl]-2-phenylethanone;molecular hydrogen.

Molecular Properties

Compound Name1-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-1-yl]-2-phenylethanone;molecular hydrogen
PubChem CID159144483
Molecular FormulaC25H26N6O2
Molecular Weight442.52 g/mol
Exact Mass442.21
IUPAC Name1-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-1-yl]-2-phenylethanone;molecular hydrogen
SMILESCc1ncc(N2CCN(C(=O)Cc3ccccc3)CC2)nc1-c1nnc(-c2ccccc2)o1.[H][H]
InChIInChI=1S/C25H24N6O2.H2/c1-18-23(25-29-28-24(33-25)20-10-6-3-7-11-20)27-21(17-26-18)30-12-14-31(15-13-30)22(32)16-19-8-4-2-5-9-19;/h2-11,17H,12-16H2,1H3;1H
InChIKeyKIMVRLHRIKEMCM-UHFFFAOYSA-N
XLogP3.64
TPSA88.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-1-yl]-2-phenylethanone;molecular hydrogen?
The IUPAC name of 1-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-1-yl]-2-phenylethanone;molecular hydrogen (CID 159144483) is 1-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-1-yl]-2-phenylethanone;molecular hydrogen.
What is the SMILES notation for 1-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-1-yl]-2-phenylethanone;molecular hydrogen?
The canonical SMILES for 1-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-1-yl]-2-phenylethanone;molecular hydrogen is Cc1ncc(N2CCN(C(=O)Cc3ccccc3)CC2)nc1-c1nnc(-c2ccccc2)o1.[H][H].
What is the InChIKey of 1-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-1-yl]-2-phenylethanone;molecular hydrogen?
The InChIKey is KIMVRLHRIKEMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O2.H2/c1-18-23(25-29-28-24(33-25)20-10-6-3-7-11-20)27-21(17-26-18)30-12-14-31(15-13-30)22(32)16-19-8-4-2-5-9-19;/h2-11,17H,12-16H2,1H3;1H.
What are the key properties of 1-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-1-yl]-2-phenylethanone;molecular hydrogen?
1-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-1-yl]-2-phenylethanone;molecular hydrogen has a molecular weight of 442.52 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-1-yl]-2-phenylethanone;molecular hydrogen is sourced from PubChem (CID 159144483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).