7-(5-azaspiro[2.4]heptan-5-yl)-N-[2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfamoyl)phenyl]-2,3-dihydrofuro[2,3-c]pyridine-5-carboxamide

C29H37N5O5S — CID 176791902

About 7-(5-azaspiro[2.4]heptan-5-yl)-N-[2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfamoyl)phenyl]-2,3-dihydrofuro[2,3-c]pyridine-5-carboxamide

7-(5-azaspiro[2.4]heptan-5-yl)-N-[2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfamoyl)phenyl]-2,3-dihydrofuro[2,3-c]pyridine-5-carboxamide (PubChem CID 176791902) has the molecular formula C29H37N5O5S and a molecular weight of 567.71 g/mol. Its IUPAC name is 7-(5-azaspiro[2.4]heptan-5-yl)-N-[2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfamoyl)phenyl]-2,3-dihydrofuro[2,3-c]pyridine-5-carboxamide.

Molecular Properties

• Compound Name: 7-(5-azaspiro[2.4]heptan-5-yl)-N-[2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfamoyl)phenyl]-2,3-dihydrofuro[2,3-c]pyridine-5-carboxamide
• PubChem CID: 176791902
• Molecular Formula: C29H37N5O5S
• Molecular Weight: 567.71 g/mol
• Exact Mass: 567.25
• IUPAC Name: 7-(5-azaspiro[2.4]heptan-5-yl)-N-[2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfamoyl)phenyl]-2,3-dihydrofuro[2,3-c]pyridine-5-carboxamide
• SMILES: O=C(Nc1ccc(S(=O)(=O)NCCO)cc1N1CCC2(CC1)CC2)c1cc2c(c(N3CCC4(CC4)C3)n1)OCC2
• InChI: InChI=1S/C29H37N5O5S/c35-15-11-30-40(37,38)21-1-2-22(24(18-21)33-12-8-28(4-5-28)9-13-33)32-27(36)23-17-20-3-16-39-25(20)26(31-23)34-14-10-29(19-34)6-7-29/h1-2,17-18,30,35H,3-16,19H2,(H,32,36)
• InChIKey: DTLZGICUMVZRGO-UHFFFAOYSA-N
• XLogP: 2.91
• TPSA: 124.10 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	567.71
LogP ≤ 5	2.91
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 7-(5-azaspiro[2.4]heptan-5-yl)-N-[2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfamoyl)phenyl]-2,3-dihydrofuro[2,3-c]pyridine-5-carboxamide?

The IUPAC name of 7-(5-azaspiro[2.4]heptan-5-yl)-N-[2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfamoyl)phenyl]-2,3-dihydrofuro[2,3-c]pyridine-5-carboxamide (CID 176791902) is 7-(5-azaspiro[2.4]heptan-5-yl)-N-[2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfamoyl)phenyl]-2,3-dihydrofuro[2,3-c]pyridine-5-carboxamide.

What is the SMILES notation for 7-(5-azaspiro[2.4]heptan-5-yl)-N-[2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfamoyl)phenyl]-2,3-dihydrofuro[2,3-c]pyridine-5-carboxamide?

The canonical SMILES for 7-(5-azaspiro[2.4]heptan-5-yl)-N-[2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfamoyl)phenyl]-2,3-dihydrofuro[2,3-c]pyridine-5-carboxamide is O=C(Nc1ccc(S(=O)(=O)NCCO)cc1N1CCC2(CC1)CC2)c1cc2c(c(N3CCC4(CC4)C3)n1)OCC2.

What is the InChIKey of 7-(5-azaspiro[2.4]heptan-5-yl)-N-[2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfamoyl)phenyl]-2,3-dihydrofuro[2,3-c]pyridine-5-carboxamide?

The InChIKey is DTLZGICUMVZRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N5O5S/c35-15-11-30-40(37,38)21-1-2-22(24(18-21)33-12-8-28(4-5-28)9-13-33)32-27(36)23-17-20-3-16-39-25(20)26(31-23)34-14-10-29(19-34)6-7-29/h1-2,17-18,30,35H,3-16,19H2,(H,32,36).

What are the key properties of 7-(5-azaspiro[2.4]heptan-5-yl)-N-[2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfamoyl)phenyl]-2,3-dihydrofuro[2,3-c]pyridine-5-carboxamide?

7-(5-azaspiro[2.4]heptan-5-yl)-N-[2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfamoyl)phenyl]-2,3-dihydrofuro[2,3-c]pyridine-5-carboxamide has a molecular weight of 567.71 g/mol, XLogP of 2.91, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(5-azaspiro[2.4]heptan-5-yl)-N-[2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfamoyl)phenyl]-2,3-dihydrofuro[2,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 176791902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).