3-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)pyrazine-2-carboxamide

C25H32F3N5O4S — CID 155781115

About 3-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)pyrazine-2-carboxamide

3-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)pyrazine-2-carboxamide (PubChem CID 155781115) has the molecular formula C25H32F3N5O4S and a molecular weight of 555.62 g/mol. Its IUPAC name is 3-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 3-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)pyrazine-2-carboxamide
• PubChem CID: 155781115
• Molecular Formula: C25H32F3N5O4S
• Molecular Weight: 555.62 g/mol
• Exact Mass: 555.21
• IUPAC Name: 3-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)pyrazine-2-carboxamide
• SMILES: CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ncc(C(C)(O)C(F)(F)F)nc2N2CCC3(CC2)CC3)c1
• InChI: InChI=1S/C25H32F3N5O4S/c1-22(2,3)32-38(36,37)17-7-5-6-16(14-17)30-21(34)19-20(33-12-10-24(8-9-24)11-13-33)31-18(15-29-19)23(4,35)25(26,27)28/h5-7,14-15,32,35H,8-13H2,1-4H3,(H,30,34)
• InChIKey: OAYOODNHGCAAHQ-UHFFFAOYSA-N
• XLogP: 3.96
• TPSA: 124.52 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	555.62
LogP ≤ 5	3.96
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)pyrazine-2-carboxamide?

The IUPAC name of 3-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)pyrazine-2-carboxamide (CID 155781115) is 3-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)pyrazine-2-carboxamide.

What is the SMILES notation for 3-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)pyrazine-2-carboxamide?

The canonical SMILES for 3-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)pyrazine-2-carboxamide is CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ncc(C(C)(O)C(F)(F)F)nc2N2CCC3(CC2)CC3)c1.

What is the InChIKey of 3-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)pyrazine-2-carboxamide?

The InChIKey is OAYOODNHGCAAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32F3N5O4S/c1-22(2,3)32-38(36,37)17-7-5-6-16(14-17)30-21(34)19-20(33-12-10-24(8-9-24)11-13-33)31-18(15-29-19)23(4,35)25(26,27)28/h5-7,14-15,32,35H,8-13H2,1-4H3,(H,30,34).

What are the key properties of 3-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)pyrazine-2-carboxamide?

3-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)pyrazine-2-carboxamide has a molecular weight of 555.62 g/mol, XLogP of 3.96, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(6-azaspiro[2.5]octan-6-yl)-N-[3-(tert-butylsulfamoyl)phenyl]-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 155781115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).