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

C24H23N7O2 — CID 59471645

IUPAC[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2ccc(-c3cnc(N)c(-c4nnc(-c5ccccc5)o4)n3)cc2)CC1
InChIInChI=1S/C24H23N7O2/c1-30-11-13-31(14-12-30)24(32)18-9-7-16(8-10-18)19-15-26-21(25)20(27-19)23-29-28-22(33-23)17-5-3-2-4-6-17/h2-10,15H,11-14H2,1H3,(H2,25,26)
InChIKeyDPUGAORKMGDXJH-UHFFFAOYSA-N
MW441.50 g/mol
LogP2.83
Rot. Bonds4

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

[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 59471645) 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]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone
PubChem CID59471645
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]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2ccc(-c3cnc(N)c(-c4nnc(-c5ccccc5)o4)n3)cc2)CC1
InChIInChI=1S/C24H23N7O2/c1-30-11-13-31(14-12-30)24(32)18-9-7-16(8-10-18)19-15-26-21(25)20(27-19)23-29-28-22(33-23)17-5-3-2-4-6-17/h2-10,15H,11-14H2,1H3,(H2,25,26)
InChIKeyDPUGAORKMGDXJH-UHFFFAOYSA-N
XLogP2.83
TPSA114.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.50
LogP ≤ 52.83
H-Bond Donors ≤ 51
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]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone (CID 59471645) is [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-(4-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]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2ccc(-c3cnc(N)c(-c4nnc(-c5ccccc5)o4)n3)cc2)CC1.
What is the InChIKey of [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is DPUGAORKMGDXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O2/c1-30-11-13-31(14-12-30)24(32)18-9-7-16(8-10-18)19-15-26-21(25)20(27-19)23-29-28-22(33-23)17-5-3-2-4-6-17/h2-10,15H,11-14H2,1H3,(H2,25,26).
What are the key properties of [4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone?
[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 441.50 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 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]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 59471645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).