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

C23H23FN6O3S — CID 59471836

IUPAC5-(2-fluoro-4-propan-2-ylsulfonylphenyl)-3-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine
SMILESCNCc1ccc(-c2nnc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4F)cnc3N)o2)cc1
InChIInChI=1S/C23H23FN6O3S/c1-13(2)34(31,32)16-8-9-17(18(24)10-16)19-12-27-21(25)20(28-19)23-30-29-22(33-23)15-6-4-14(5-7-15)11-26-3/h4-10,12-13,26H,11H2,1-3H3,(H2,25,27)
InChIKeyQAUDRWJZHQTMQC-UHFFFAOYSA-N
MW482.54 g/mol
LogP3.48
Rot. Bonds7

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

5-(2-fluoro-4-propan-2-ylsulfonylphenyl)-3-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine (PubChem CID 59471836) has the molecular formula C23H23FN6O3S and a molecular weight of 482.54 g/mol. Its IUPAC name is 5-(2-fluoro-4-propan-2-ylsulfonylphenyl)-3-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine.

Molecular Properties

Compound Name5-(2-fluoro-4-propan-2-ylsulfonylphenyl)-3-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine
PubChem CID59471836
Molecular FormulaC23H23FN6O3S
Molecular Weight482.54 g/mol
Exact Mass482.15
IUPAC Name5-(2-fluoro-4-propan-2-ylsulfonylphenyl)-3-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine
SMILESCNCc1ccc(-c2nnc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4F)cnc3N)o2)cc1
InChIInChI=1S/C23H23FN6O3S/c1-13(2)34(31,32)16-8-9-17(18(24)10-16)19-12-27-21(25)20(28-19)23-30-29-22(33-23)15-6-4-14(5-7-15)11-26-3/h4-10,12-13,26H,11H2,1-3H3,(H2,25,27)
InChIKeyQAUDRWJZHQTMQC-UHFFFAOYSA-N
XLogP3.48
TPSA136.89 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.54
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-(2-fluoro-4-propan-2-ylsulfonylphenyl)-3-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-4-propan-2-ylsulfonylphenyl)-3-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine?
The IUPAC name of 5-(2-fluoro-4-propan-2-ylsulfonylphenyl)-3-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine (CID 59471836) is 5-(2-fluoro-4-propan-2-ylsulfonylphenyl)-3-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine.
What is the SMILES notation for 5-(2-fluoro-4-propan-2-ylsulfonylphenyl)-3-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine?
The canonical SMILES for 5-(2-fluoro-4-propan-2-ylsulfonylphenyl)-3-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine is CNCc1ccc(-c2nnc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4F)cnc3N)o2)cc1.
What is the InChIKey of 5-(2-fluoro-4-propan-2-ylsulfonylphenyl)-3-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine?
The InChIKey is QAUDRWJZHQTMQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN6O3S/c1-13(2)34(31,32)16-8-9-17(18(24)10-16)19-12-27-21(25)20(28-19)23-30-29-22(33-23)15-6-4-14(5-7-15)11-26-3/h4-10,12-13,26H,11H2,1-3H3,(H2,25,27).
What are the key properties of 5-(2-fluoro-4-propan-2-ylsulfonylphenyl)-3-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine?
5-(2-fluoro-4-propan-2-ylsulfonylphenyl)-3-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine has a molecular weight of 482.54 g/mol, XLogP of 3.48, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-4-propan-2-ylsulfonylphenyl)-3-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine is sourced from PubChem (CID 59471836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).