2-(6-azaspiro[2.5]octan-6-yl)-N-[4-(4,4-difluoropiperidin-1-yl)-1,3-dihydrofuro[3,4-c]pyridin-6-yl]-4-(2-hydroxyethylsulfonylamino)benzamide

C28H35F2N5O5S — CID 170331771

About 2-(6-azaspiro[2.5]octan-6-yl)-N-[4-(4,4-difluoropiperidin-1-yl)-1,3-dihydrofuro[3,4-c]pyridin-6-yl]-4-(2-hydroxyethylsulfonylamino)benzamide

2-(6-azaspiro[2.5]octan-6-yl)-N-[4-(4,4-difluoropiperidin-1-yl)-1,3-dihydrofuro[3,4-c]pyridin-6-yl]-4-(2-hydroxyethylsulfonylamino)benzamide (PubChem CID 170331771) has the molecular formula C28H35F2N5O5S and a molecular weight of 591.68 g/mol. Its IUPAC name is 2-(6-azaspiro[2.5]octan-6-yl)-N-[4-(4,4-difluoropiperidin-1-yl)-1,3-dihydrofuro[3,4-c]pyridin-6-yl]-4-(2-hydroxyethylsulfonylamino)benzamide.

Molecular Properties

• Compound Name: 2-(6-azaspiro[2.5]octan-6-yl)-N-[4-(4,4-difluoropiperidin-1-yl)-1,3-dihydrofuro[3,4-c]pyridin-6-yl]-4-(2-hydroxyethylsulfonylamino)benzamide
• PubChem CID: 170331771
• Molecular Formula: C28H35F2N5O5S
• Molecular Weight: 591.68 g/mol
• Exact Mass: 591.23
• IUPAC Name: 2-(6-azaspiro[2.5]octan-6-yl)-N-[4-(4,4-difluoropiperidin-1-yl)-1,3-dihydrofuro[3,4-c]pyridin-6-yl]-4-(2-hydroxyethylsulfonylamino)benzamide
• SMILES: O=C(Nc1cc2c(c(N3CCC(F)(F)CC3)n1)COC2)c1ccc(NS(=O)(=O)CCO)cc1N1CCC2(CC1)CC2
• InChI: InChI=1S/C28H35F2N5O5S/c29-28(30)7-11-35(12-8-28)25-22-18-40-17-19(22)15-24(31-25)32-26(37)21-2-1-20(33-41(38,39)14-13-36)16-23(21)34-9-5-27(3-4-27)6-10-34/h1-2,15-16,33,36H,3-14,17-18H2,(H,31,32,37)
• InChIKey: BHTFPDSNSYSRTH-UHFFFAOYSA-N
• XLogP: 3.71
• TPSA: 124.10 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	591.68
LogP ≤ 5	3.71
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-N-[4-(4,4-difluoropiperidin-1-yl)-1,3-dihydrofuro[3,4-c]pyridin-6-yl]-4-(2-hydroxyethylsulfonylamino)benzamide?

The IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-N-[4-(4,4-difluoropiperidin-1-yl)-1,3-dihydrofuro[3,4-c]pyridin-6-yl]-4-(2-hydroxyethylsulfonylamino)benzamide (CID 170331771) is 2-(6-azaspiro[2.5]octan-6-yl)-N-[4-(4,4-difluoropiperidin-1-yl)-1,3-dihydrofuro[3,4-c]pyridin-6-yl]-4-(2-hydroxyethylsulfonylamino)benzamide.

What is the SMILES notation for 2-(6-azaspiro[2.5]octan-6-yl)-N-[4-(4,4-difluoropiperidin-1-yl)-1,3-dihydrofuro[3,4-c]pyridin-6-yl]-4-(2-hydroxyethylsulfonylamino)benzamide?

The canonical SMILES for 2-(6-azaspiro[2.5]octan-6-yl)-N-[4-(4,4-difluoropiperidin-1-yl)-1,3-dihydrofuro[3,4-c]pyridin-6-yl]-4-(2-hydroxyethylsulfonylamino)benzamide is O=C(Nc1cc2c(c(N3CCC(F)(F)CC3)n1)COC2)c1ccc(NS(=O)(=O)CCO)cc1N1CCC2(CC1)CC2.

What is the InChIKey of 2-(6-azaspiro[2.5]octan-6-yl)-N-[4-(4,4-difluoropiperidin-1-yl)-1,3-dihydrofuro[3,4-c]pyridin-6-yl]-4-(2-hydroxyethylsulfonylamino)benzamide?

The InChIKey is BHTFPDSNSYSRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35F2N5O5S/c29-28(30)7-11-35(12-8-28)25-22-18-40-17-19(22)15-24(31-25)32-26(37)21-2-1-20(33-41(38,39)14-13-36)16-23(21)34-9-5-27(3-4-27)6-10-34/h1-2,15-16,33,36H,3-14,17-18H2,(H,31,32,37).

What are the key properties of 2-(6-azaspiro[2.5]octan-6-yl)-N-[4-(4,4-difluoropiperidin-1-yl)-1,3-dihydrofuro[3,4-c]pyridin-6-yl]-4-(2-hydroxyethylsulfonylamino)benzamide?

2-(6-azaspiro[2.5]octan-6-yl)-N-[4-(4,4-difluoropiperidin-1-yl)-1,3-dihydrofuro[3,4-c]pyridin-6-yl]-4-(2-hydroxyethylsulfonylamino)benzamide has a molecular weight of 591.68 g/mol, XLogP of 3.71, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6-azaspiro[2.5]octan-6-yl)-N-[4-(4,4-difluoropiperidin-1-yl)-1,3-dihydrofuro[3,4-c]pyridin-6-yl]-4-(2-hydroxyethylsulfonylamino)benzamide is sourced from PubChem (CID 170331771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).