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

C23H23FN6O3S — CID 59471890

IUPAC5-[4-[1-(dimethylamino)propan-2-ylsulfonyl]phenyl]-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine
SMILESCC(CN(C)C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3nnc(-c4ccccc4F)o3)n2)cc1
InChIInChI=1S/C23H23FN6O3S/c1-14(13-30(2)3)34(31,32)16-10-8-15(9-11-16)19-12-26-21(25)20(27-19)23-29-28-22(33-23)17-6-4-5-7-18(17)24/h4-12,14H,13H2,1-3H3,(H2,25,26)
InChIKeyBMGJFETWTIRGAJ-UHFFFAOYSA-N
MW482.54 g/mol
LogP3.31
Rot. Bonds7

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

5-[4-[1-(dimethylamino)propan-2-ylsulfonyl]phenyl]-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine (PubChem CID 59471890) has the molecular formula C23H23FN6O3S and a molecular weight of 482.54 g/mol. Its IUPAC name is 5-[4-[1-(dimethylamino)propan-2-ylsulfonyl]phenyl]-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine.

Molecular Properties

Compound Name5-[4-[1-(dimethylamino)propan-2-ylsulfonyl]phenyl]-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine
PubChem CID59471890
Molecular FormulaC23H23FN6O3S
Molecular Weight482.54 g/mol
Exact Mass482.15
IUPAC Name5-[4-[1-(dimethylamino)propan-2-ylsulfonyl]phenyl]-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine
SMILESCC(CN(C)C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3nnc(-c4ccccc4F)o3)n2)cc1
InChIInChI=1S/C23H23FN6O3S/c1-14(13-30(2)3)34(31,32)16-10-8-15(9-11-16)19-12-26-21(25)20(27-19)23-29-28-22(33-23)17-6-4-5-7-18(17)24/h4-12,14H,13H2,1-3H3,(H2,25,26)
InChIKeyBMGJFETWTIRGAJ-UHFFFAOYSA-N
XLogP3.31
TPSA128.10 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.54
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[1-(dimethylamino)propan-2-ylsulfonyl]phenyl]-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine?
The IUPAC name of 5-[4-[1-(dimethylamino)propan-2-ylsulfonyl]phenyl]-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine (CID 59471890) is 5-[4-[1-(dimethylamino)propan-2-ylsulfonyl]phenyl]-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine.
What is the SMILES notation for 5-[4-[1-(dimethylamino)propan-2-ylsulfonyl]phenyl]-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine?
The canonical SMILES for 5-[4-[1-(dimethylamino)propan-2-ylsulfonyl]phenyl]-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine is CC(CN(C)C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3nnc(-c4ccccc4F)o3)n2)cc1.
What is the InChIKey of 5-[4-[1-(dimethylamino)propan-2-ylsulfonyl]phenyl]-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine?
The InChIKey is BMGJFETWTIRGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN6O3S/c1-14(13-30(2)3)34(31,32)16-10-8-15(9-11-16)19-12-26-21(25)20(27-19)23-29-28-22(33-23)17-6-4-5-7-18(17)24/h4-12,14H,13H2,1-3H3,(H2,25,26).
What are the key properties of 5-[4-[1-(dimethylamino)propan-2-ylsulfonyl]phenyl]-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine?
5-[4-[1-(dimethylamino)propan-2-ylsulfonyl]phenyl]-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine has a molecular weight of 482.54 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[1-(dimethylamino)propan-2-ylsulfonyl]phenyl]-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine is sourced from PubChem (CID 59471890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).