5-[4-[4-(dimethylamino)butan-2-ylsulfonyl]phenyl]-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine

C24H25FN6O3S — CID 59471789

IUPAC5-[4-[4-(dimethylamino)butan-2-ylsulfonyl]phenyl]-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine
SMILESCC(CCN(C)C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3nnc(-c4ccccc4F)o3)n2)cc1
InChIInChI=1S/C24H25FN6O3S/c1-15(12-13-31(2)3)35(32,33)17-10-8-16(9-11-17)20-14-27-22(26)21(28-20)24-30-29-23(34-24)18-6-4-5-7-19(18)25/h4-11,14-15H,12-13H2,1-3H3,(H2,26,27)
InChIKeyQHDCBTKKDMEIEJ-UHFFFAOYSA-N
MW496.57 g/mol
LogP3.70
Rot. Bonds8

About 5-[4-[4-(dimethylamino)butan-2-ylsulfonyl]phenyl]-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine

5-[4-[4-(dimethylamino)butan-2-ylsulfonyl]phenyl]-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine (PubChem CID 59471789) has the molecular formula C24H25FN6O3S and a molecular weight of 496.57 g/mol. Its IUPAC name is 5-[4-[4-(dimethylamino)butan-2-ylsulfonyl]phenyl]-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine.

Molecular Properties

Compound Name5-[4-[4-(dimethylamino)butan-2-ylsulfonyl]phenyl]-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine
PubChem CID59471789
Molecular FormulaC24H25FN6O3S
Molecular Weight496.57 g/mol
Exact Mass496.17
IUPAC Name5-[4-[4-(dimethylamino)butan-2-ylsulfonyl]phenyl]-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine
SMILESCC(CCN(C)C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3nnc(-c4ccccc4F)o3)n2)cc1
InChIInChI=1S/C24H25FN6O3S/c1-15(12-13-31(2)3)35(32,33)17-10-8-16(9-11-17)20-14-27-22(26)21(28-20)24-30-29-23(34-24)18-6-4-5-7-19(18)25/h4-11,14-15H,12-13H2,1-3H3,(H2,26,27)
InChIKeyQHDCBTKKDMEIEJ-UHFFFAOYSA-N
XLogP3.70
TPSA128.10 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.57
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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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
3-(5-Phenyl-1,3-oxazol-2-yl)-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine
CID 71554734
3-(2-Phenyl-1,3-oxazol-5-yl)-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine
CID 155536557
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
1-[[4-[5-[3-Amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]methylamino]-2-methylpropan-2-ol
CID 59471725
3-[5-[2-Fluoro-4-[(oxolan-3-ylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfinylphenyl)pyrazin-2-amine
CID 59471773
[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

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-(dimethylamino)butan-2-ylsulfonyl]phenyl]-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine?
The IUPAC name of 5-[4-[4-(dimethylamino)butan-2-ylsulfonyl]phenyl]-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine (CID 59471789) is 5-[4-[4-(dimethylamino)butan-2-ylsulfonyl]phenyl]-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine.
What is the SMILES notation for 5-[4-[4-(dimethylamino)butan-2-ylsulfonyl]phenyl]-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine?
The canonical SMILES for 5-[4-[4-(dimethylamino)butan-2-ylsulfonyl]phenyl]-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine is CC(CCN(C)C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3nnc(-c4ccccc4F)o3)n2)cc1.
What is the InChIKey of 5-[4-[4-(dimethylamino)butan-2-ylsulfonyl]phenyl]-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine?
The InChIKey is QHDCBTKKDMEIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN6O3S/c1-15(12-13-31(2)3)35(32,33)17-10-8-16(9-11-17)20-14-27-22(26)21(28-20)24-30-29-23(34-24)18-6-4-5-7-19(18)25/h4-11,14-15H,12-13H2,1-3H3,(H2,26,27).
What are the key properties of 5-[4-[4-(dimethylamino)butan-2-ylsulfonyl]phenyl]-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine?
5-[4-[4-(dimethylamino)butan-2-ylsulfonyl]phenyl]-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine has a molecular weight of 496.57 g/mol, XLogP of 3.70, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-(dimethylamino)butan-2-ylsulfonyl]phenyl]-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine is sourced from PubChem (CID 59471789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).