N-[2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfamoyl)phenyl]-7-(4-fluoropiperidin-1-yl)furo[2,3-c]pyridine-5-carboxamide

C28H34FN5O5S — CID 176791913

About N-[2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfamoyl)phenyl]-7-(4-fluoropiperidin-1-yl)furo[2,3-c]pyridine-5-carboxamide

N-[2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfamoyl)phenyl]-7-(4-fluoropiperidin-1-yl)furo[2,3-c]pyridine-5-carboxamide (PubChem CID 176791913) has the molecular formula C28H34FN5O5S and a molecular weight of 571.68 g/mol. Its IUPAC name is N-[2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfamoyl)phenyl]-7-(4-fluoropiperidin-1-yl)furo[2,3-c]pyridine-5-carboxamide.

Molecular Properties

• Compound Name: N-[2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfamoyl)phenyl]-7-(4-fluoropiperidin-1-yl)furo[2,3-c]pyridine-5-carboxamide
• PubChem CID: 176791913
• Molecular Formula: C28H34FN5O5S
• Molecular Weight: 571.68 g/mol
• Exact Mass: 571.23
• IUPAC Name: N-[2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfamoyl)phenyl]-7-(4-fluoropiperidin-1-yl)furo[2,3-c]pyridine-5-carboxamide
• SMILES: O=C(Nc1ccc(S(=O)(=O)NCCO)cc1N1CCC2(CC1)CC2)c1cc2ccoc2c(N2CCC(F)CC2)n1
• InChI: InChI=1S/C28H34FN5O5S/c29-20-3-11-34(12-4-20)26-25-19(5-16-39-25)17-23(31-26)27(36)32-22-2-1-21(40(37,38)30-10-15-35)18-24(22)33-13-8-28(6-7-28)9-14-33/h1-2,5,16-18,20,30,35H,3-4,6-15H2,(H,32,36)
• InChIKey: LZSTUSOOYVBPGA-UHFFFAOYSA-N
• XLogP: 3.67
• TPSA: 128.01 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	571.68
LogP ≤ 5	3.67
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfamoyl)phenyl]-7-(4-fluoropiperidin-1-yl)furo[2,3-c]pyridine-5-carboxamide?

The IUPAC name of N-[2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfamoyl)phenyl]-7-(4-fluoropiperidin-1-yl)furo[2,3-c]pyridine-5-carboxamide (CID 176791913) is N-[2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfamoyl)phenyl]-7-(4-fluoropiperidin-1-yl)furo[2,3-c]pyridine-5-carboxamide.

What is the SMILES notation for N-[2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfamoyl)phenyl]-7-(4-fluoropiperidin-1-yl)furo[2,3-c]pyridine-5-carboxamide?

The canonical SMILES for N-[2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfamoyl)phenyl]-7-(4-fluoropiperidin-1-yl)furo[2,3-c]pyridine-5-carboxamide is O=C(Nc1ccc(S(=O)(=O)NCCO)cc1N1CCC2(CC1)CC2)c1cc2ccoc2c(N2CCC(F)CC2)n1.

What is the InChIKey of N-[2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfamoyl)phenyl]-7-(4-fluoropiperidin-1-yl)furo[2,3-c]pyridine-5-carboxamide?

The InChIKey is LZSTUSOOYVBPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34FN5O5S/c29-20-3-11-34(12-4-20)26-25-19(5-16-39-25)17-23(31-26)27(36)32-22-2-1-21(40(37,38)30-10-15-35)18-24(22)33-13-8-28(6-7-28)9-14-33/h1-2,5,16-18,20,30,35H,3-4,6-15H2,(H,32,36).

What are the key properties of N-[2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfamoyl)phenyl]-7-(4-fluoropiperidin-1-yl)furo[2,3-c]pyridine-5-carboxamide?

N-[2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfamoyl)phenyl]-7-(4-fluoropiperidin-1-yl)furo[2,3-c]pyridine-5-carboxamide has a molecular weight of 571.68 g/mol, XLogP of 3.67, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfamoyl)phenyl]-7-(4-fluoropiperidin-1-yl)furo[2,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 176791913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).