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

C24H23N7O2 — CID 59471871

IUPAC[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-(3-methylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)c2ccc(-c3cnc(N)c(-c4nnc(-c5ccccc5)o4)n3)cc2)CCN1
InChIInChI=1S/C24H23N7O2/c1-15-14-31(12-11-26-15)24(32)18-9-7-16(8-10-18)19-13-27-21(25)20(28-19)23-30-29-22(33-23)17-5-3-2-4-6-17/h2-10,13,15,26H,11-12,14H2,1H3,(H2,25,27)
InChIKeyGTETUIQNWFSBHY-UHFFFAOYSA-N
MW441.50 g/mol
LogP2.88
Rot. Bonds4

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

[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-(3-methylpiperazin-1-yl)methanone (PubChem CID 59471871) has the molecular formula C24H23N7O2 and a molecular weight of 441.50 g/mol. Its IUPAC name is [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-(3-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-(3-methylpiperazin-1-yl)methanone
PubChem CID59471871
Molecular FormulaC24H23N7O2
Molecular Weight441.50 g/mol
Exact Mass441.19
IUPAC Name[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-(3-methylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)c2ccc(-c3cnc(N)c(-c4nnc(-c5ccccc5)o4)n3)cc2)CCN1
InChIInChI=1S/C24H23N7O2/c1-15-14-31(12-11-26-15)24(32)18-9-7-16(8-10-18)19-13-27-21(25)20(28-19)23-30-29-22(33-23)17-5-3-2-4-6-17/h2-10,13,15,26H,11-12,14H2,1H3,(H2,25,27)
InChIKeyGTETUIQNWFSBHY-UHFFFAOYSA-N
XLogP2.88
TPSA123.06 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.50
LogP ≤ 52.88
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]-(3-methylpiperazin-1-yl)methanone?
The IUPAC name of [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-(3-methylpiperazin-1-yl)methanone (CID 59471871) is [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-(3-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-(3-methylpiperazin-1-yl)methanone?
The canonical SMILES for [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-(3-methylpiperazin-1-yl)methanone is CC1CN(C(=O)c2ccc(-c3cnc(N)c(-c4nnc(-c5ccccc5)o4)n3)cc2)CCN1.
What is the InChIKey of [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-(3-methylpiperazin-1-yl)methanone?
The InChIKey is GTETUIQNWFSBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O2/c1-15-14-31(12-11-26-15)24(32)18-9-7-16(8-10-18)19-13-27-21(25)20(28-19)23-30-29-22(33-23)17-5-3-2-4-6-17/h2-10,13,15,26H,11-12,14H2,1H3,(H2,25,27).
What are the key properties of [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-(3-methylpiperazin-1-yl)methanone?
[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-(3-methylpiperazin-1-yl)methanone has a molecular weight of 441.50 g/mol, XLogP of 2.88, 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]-(3-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 59471871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).