4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3-[(E)-2-fluoroethenyl]-N,N-dimethylbenzamide

C23H19FN6O2 — CID 59472055

IUPAC4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3-[(E)-2-fluoroethenyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(-c2cnc(N)c(-c3nnc(-c4ccccc4)o3)n2)c(/C=C/F)c1
InChIInChI=1S/C23H19FN6O2/c1-30(2)23(31)16-8-9-17(15(12-16)10-11-24)18-13-26-20(25)19(27-18)22-29-28-21(32-22)14-6-4-3-5-7-14/h3-13H,1-2H3,(H2,25,26)/b11-10+
InChIKeyKFUXPSOILLEMHG-ZHACJKMWSA-N
MW430.44 g/mol
LogP4.08
Rot. Bonds5

About 4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3-[(E)-2-fluoroethenyl]-N,N-dimethylbenzamide

4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3-[(E)-2-fluoroethenyl]-N,N-dimethylbenzamide (PubChem CID 59472055) has the molecular formula C23H19FN6O2 and a molecular weight of 430.44 g/mol. Its IUPAC name is 4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3-[(E)-2-fluoroethenyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3-[(E)-2-fluoroethenyl]-N,N-dimethylbenzamide
PubChem CID59472055
Molecular FormulaC23H19FN6O2
Molecular Weight430.44 g/mol
Exact Mass430.16
IUPAC Name4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3-[(E)-2-fluoroethenyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(-c2cnc(N)c(-c3nnc(-c4ccccc4)o3)n2)c(/C=C/F)c1
InChIInChI=1S/C23H19FN6O2/c1-30(2)23(31)16-8-9-17(15(12-16)10-11-24)18-13-26-20(25)19(27-18)22-29-28-21(32-22)14-6-4-3-5-7-14/h3-13H,1-2H3,(H2,25,26)/b11-10+
InChIKeyKFUXPSOILLEMHG-ZHACJKMWSA-N
XLogP4.08
TPSA111.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.44
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(5-Phenyl-1,3,4-oxadiazol-2-yl)-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine
CID 59472018
5-[5-Amino-6-[5-[2-methyl-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-(2,2,2-trifluoroethyl)pyridin-2-one
CID 54672750
5-[5-Amino-6-[5-[2-fluoro-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one
CID 54674977
4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3-(difluoromethyl)-N,N-dimethyl-benzamide
CID 59471612
[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 59471680
[4-[5-Amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-[4-(dimethylamino)piperidin-1-yl]methanone
CID 59471699
[4-[5-Amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-[3-(trifluoromethyl)piperazin-1-yl]methanone
CID 59471711
5-[4-[3-(Dimethylamino)-1-methyl-propyl]sulfonylphenyl]-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine
CID 59471789
[4-[5-Amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2,6-difluorophenyl]-(1,4-diazepan-1-yl)methanone
CID 59471799
4-[5-amino-6-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-N,N-dimethylbenzamide
CID 59471830
5-(2-Fluoro-4-isopropylsulfonyl-phenyl)-3-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine
CID 59471836
3-[5-[4-[(1S)-1-amino-2,2,2-trifluoro-ethyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-isopropylsulfonylphenyl)pyrazin-2-amine
CID 59471865

Frequently Asked Questions

What is the IUPAC name of 4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3-[(E)-2-fluoroethenyl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3-[(E)-2-fluoroethenyl]-N,N-dimethylbenzamide (CID 59472055) is 4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3-[(E)-2-fluoroethenyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3-[(E)-2-fluoroethenyl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3-[(E)-2-fluoroethenyl]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(-c2cnc(N)c(-c3nnc(-c4ccccc4)o3)n2)c(/C=C/F)c1.
What is the InChIKey of 4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3-[(E)-2-fluoroethenyl]-N,N-dimethylbenzamide?
The InChIKey is KFUXPSOILLEMHG-ZHACJKMWSA-N. The full InChI is InChI=1S/C23H19FN6O2/c1-30(2)23(31)16-8-9-17(15(12-16)10-11-24)18-13-26-20(25)19(27-18)22-29-28-21(32-22)14-6-4-3-5-7-14/h3-13H,1-2H3,(H2,25,26)/b11-10+.
What are the key properties of 4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3-[(E)-2-fluoroethenyl]-N,N-dimethylbenzamide?
4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3-[(E)-2-fluoroethenyl]-N,N-dimethylbenzamide has a molecular weight of 430.44 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 7 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]-3-[(E)-2-fluoroethenyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 59472055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).