5-(4-butan-2-ylsulfinylphenyl)-3-[5-[2-fluoro-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine

C24H25FN6O2S — CID 59472284

IUPAC5-(4-butan-2-ylsulfinylphenyl)-3-[5-[2-fluoro-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine
SMILESCCC(C)S(=O)c1ccc(-c2cnc(N)c(-c3nnc(-c4ccc(CNC)cc4F)o3)n2)cc1
InChIInChI=1S/C24H25FN6O2S/c1-4-14(2)34(32)17-8-6-16(7-9-17)20-13-28-22(26)21(29-20)24-31-30-23(33-24)18-10-5-15(12-27-3)11-19(18)25/h5-11,13-14,27H,4,12H2,1-3H3,(H2,26,28)
InChIKeyDVBOZLRMZJJJAF-UHFFFAOYSA-N
MW480.57 g/mol
LogP4.21
Rot. Bonds8

About 5-(4-butan-2-ylsulfinylphenyl)-3-[5-[2-fluoro-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine

5-(4-butan-2-ylsulfinylphenyl)-3-[5-[2-fluoro-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine (PubChem CID 59472284) has the molecular formula C24H25FN6O2S and a molecular weight of 480.57 g/mol. Its IUPAC name is 5-(4-butan-2-ylsulfinylphenyl)-3-[5-[2-fluoro-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine.

Molecular Properties

Compound Name5-(4-butan-2-ylsulfinylphenyl)-3-[5-[2-fluoro-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine
PubChem CID59472284
Molecular FormulaC24H25FN6O2S
Molecular Weight480.57 g/mol
Exact Mass480.17
IUPAC Name5-(4-butan-2-ylsulfinylphenyl)-3-[5-[2-fluoro-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine
SMILESCCC(C)S(=O)c1ccc(-c2cnc(N)c(-c3nnc(-c4ccc(CNC)cc4F)o3)n2)cc1
InChIInChI=1S/C24H25FN6O2S/c1-4-14(2)34(32)17-8-6-16(7-9-17)20-13-28-22(26)21(29-20)24-31-30-23(33-24)18-10-5-15(12-27-3)11-19(18)25/h5-11,13-14,27H,4,12H2,1-3H3,(H2,26,28)
InChIKeyDVBOZLRMZJJJAF-UHFFFAOYSA-N
XLogP4.21
TPSA119.82 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.57
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(4-butan-2-ylsulfinylphenyl)-3-[5-[2-fluoro-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine?
The IUPAC name of 5-(4-butan-2-ylsulfinylphenyl)-3-[5-[2-fluoro-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine (CID 59472284) is 5-(4-butan-2-ylsulfinylphenyl)-3-[5-[2-fluoro-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine.
What is the SMILES notation for 5-(4-butan-2-ylsulfinylphenyl)-3-[5-[2-fluoro-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine?
The canonical SMILES for 5-(4-butan-2-ylsulfinylphenyl)-3-[5-[2-fluoro-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine is CCC(C)S(=O)c1ccc(-c2cnc(N)c(-c3nnc(-c4ccc(CNC)cc4F)o3)n2)cc1.
What is the InChIKey of 5-(4-butan-2-ylsulfinylphenyl)-3-[5-[2-fluoro-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine?
The InChIKey is DVBOZLRMZJJJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN6O2S/c1-4-14(2)34(32)17-8-6-16(7-9-17)20-13-28-22(26)21(29-20)24-31-30-23(33-24)18-10-5-15(12-27-3)11-19(18)25/h5-11,13-14,27H,4,12H2,1-3H3,(H2,26,28).
What are the key properties of 5-(4-butan-2-ylsulfinylphenyl)-3-[5-[2-fluoro-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine?
5-(4-butan-2-ylsulfinylphenyl)-3-[5-[2-fluoro-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine has a molecular weight of 480.57 g/mol, XLogP of 4.21, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-butan-2-ylsulfinylphenyl)-3-[5-[2-fluoro-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine is sourced from PubChem (CID 59472284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).