2-(6-azaspiro[2.5]octan-6-yl)-N-[8-(4,4-difluoropiperidin-1-yl)-3-fluoroimidazo[1,2-a]pyrazin-6-yl]-4-(2-hydroxyethylsulfonylamino)benzamide

C27H32F3N7O4S — CID 171484659

About 2-(6-azaspiro[2.5]octan-6-yl)-N-[8-(4,4-difluoropiperidin-1-yl)-3-fluoroimidazo[1,2-a]pyrazin-6-yl]-4-(2-hydroxyethylsulfonylamino)benzamide

2-(6-azaspiro[2.5]octan-6-yl)-N-[8-(4,4-difluoropiperidin-1-yl)-3-fluoroimidazo[1,2-a]pyrazin-6-yl]-4-(2-hydroxyethylsulfonylamino)benzamide (PubChem CID 171484659) has the molecular formula C27H32F3N7O4S and a molecular weight of 607.66 g/mol. Its IUPAC name is 2-(6-azaspiro[2.5]octan-6-yl)-N-[8-(4,4-difluoropiperidin-1-yl)-3-fluoroimidazo[1,2-a]pyrazin-6-yl]-4-(2-hydroxyethylsulfonylamino)benzamide.

Molecular Properties

• Compound Name: 2-(6-azaspiro[2.5]octan-6-yl)-N-[8-(4,4-difluoropiperidin-1-yl)-3-fluoroimidazo[1,2-a]pyrazin-6-yl]-4-(2-hydroxyethylsulfonylamino)benzamide
• PubChem CID: 171484659
• Molecular Formula: C27H32F3N7O4S
• Molecular Weight: 607.66 g/mol
• Exact Mass: 607.22
• IUPAC Name: 2-(6-azaspiro[2.5]octan-6-yl)-N-[8-(4,4-difluoropiperidin-1-yl)-3-fluoroimidazo[1,2-a]pyrazin-6-yl]-4-(2-hydroxyethylsulfonylamino)benzamide
• SMILES: O=C(Nc1cn2c(F)cnc2c(N2CCC(F)(F)CC2)n1)c1ccc(NS(=O)(=O)CCO)cc1N1CCC2(CC1)CC2
• InChI: InChI=1S/C27H32F3N7O4S/c28-21-16-31-23-24(36-11-7-27(29,30)8-12-36)32-22(17-37(21)23)33-25(39)19-2-1-18(34-42(40,41)14-13-38)15-20(19)35-9-5-26(3-4-26)6-10-35/h1-2,15-17,34,38H,3-14H2,(H,33,39)
• InChIKey: SWSOHVGTWCRFAE-UHFFFAOYSA-N
• XLogP: 3.47
• TPSA: 132.17 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	607.66
LogP ≤ 5	3.47
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-N-[8-(4,4-difluoropiperidin-1-yl)-3-fluoroimidazo[1,2-a]pyrazin-6-yl]-4-(2-hydroxyethylsulfonylamino)benzamide?

The IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-N-[8-(4,4-difluoropiperidin-1-yl)-3-fluoroimidazo[1,2-a]pyrazin-6-yl]-4-(2-hydroxyethylsulfonylamino)benzamide (CID 171484659) is 2-(6-azaspiro[2.5]octan-6-yl)-N-[8-(4,4-difluoropiperidin-1-yl)-3-fluoroimidazo[1,2-a]pyrazin-6-yl]-4-(2-hydroxyethylsulfonylamino)benzamide.

What is the SMILES notation for 2-(6-azaspiro[2.5]octan-6-yl)-N-[8-(4,4-difluoropiperidin-1-yl)-3-fluoroimidazo[1,2-a]pyrazin-6-yl]-4-(2-hydroxyethylsulfonylamino)benzamide?

The canonical SMILES for 2-(6-azaspiro[2.5]octan-6-yl)-N-[8-(4,4-difluoropiperidin-1-yl)-3-fluoroimidazo[1,2-a]pyrazin-6-yl]-4-(2-hydroxyethylsulfonylamino)benzamide is O=C(Nc1cn2c(F)cnc2c(N2CCC(F)(F)CC2)n1)c1ccc(NS(=O)(=O)CCO)cc1N1CCC2(CC1)CC2.

What is the InChIKey of 2-(6-azaspiro[2.5]octan-6-yl)-N-[8-(4,4-difluoropiperidin-1-yl)-3-fluoroimidazo[1,2-a]pyrazin-6-yl]-4-(2-hydroxyethylsulfonylamino)benzamide?

The InChIKey is SWSOHVGTWCRFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32F3N7O4S/c28-21-16-31-23-24(36-11-7-27(29,30)8-12-36)32-22(17-37(21)23)33-25(39)19-2-1-18(34-42(40,41)14-13-38)15-20(19)35-9-5-26(3-4-26)6-10-35/h1-2,15-17,34,38H,3-14H2,(H,33,39).

What are the key properties of 2-(6-azaspiro[2.5]octan-6-yl)-N-[8-(4,4-difluoropiperidin-1-yl)-3-fluoroimidazo[1,2-a]pyrazin-6-yl]-4-(2-hydroxyethylsulfonylamino)benzamide?

2-(6-azaspiro[2.5]octan-6-yl)-N-[8-(4,4-difluoropiperidin-1-yl)-3-fluoroimidazo[1,2-a]pyrazin-6-yl]-4-(2-hydroxyethylsulfonylamino)benzamide has a molecular weight of 607.66 g/mol, XLogP of 3.47, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6-azaspiro[2.5]octan-6-yl)-N-[8-(4,4-difluoropiperidin-1-yl)-3-fluoroimidazo[1,2-a]pyrazin-6-yl]-4-(2-hydroxyethylsulfonylamino)benzamide is sourced from PubChem (CID 171484659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).