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

C26H29F3N4O6S — CID 177373073

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

N-[2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)phenyl]-7-(3,3,3-trifluoropropoxy)furo[2,3-c]pyridine-5-carboxamide (PubChem CID 177373073) has the molecular formula C26H29F3N4O6S and a molecular weight of 582.60 g/mol. Its IUPAC name is N-[2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)phenyl]-7-(3,3,3-trifluoropropoxy)furo[2,3-c]pyridine-5-carboxamide.

Molecular Properties

• Compound Name: N-[2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)phenyl]-7-(3,3,3-trifluoropropoxy)furo[2,3-c]pyridine-5-carboxamide
• PubChem CID: 177373073
• Molecular Formula: C26H29F3N4O6S
• Molecular Weight: 582.60 g/mol
• Exact Mass: 582.18
• IUPAC Name: N-[2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)phenyl]-7-(3,3,3-trifluoropropoxy)furo[2,3-c]pyridine-5-carboxamide
• SMILES: O=C(Nc1ccc(NS(=O)(=O)CCO)cc1N1CCC2(CC1)CC2)c1cc2ccoc2c(OCCC(F)(F)F)n1
• InChI: InChI=1S/C26H29F3N4O6S/c27-26(28,29)8-13-39-24-22-17(3-12-38-22)15-20(31-24)23(35)30-19-2-1-18(32-40(36,37)14-11-34)16-21(19)33-9-6-25(4-5-25)7-10-33/h1-3,12,15-16,32,34H,4-11,13-14H2,(H,30,35)
• InChIKey: HQLRVVQPXHTEPD-UHFFFAOYSA-N
• XLogP: 4.53
• TPSA: 134.00 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	582.60
LogP ≤ 5	4.53
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-hydroxyethylsulfonylamino)phenyl]-7-(3,3,3-trifluoropropoxy)furo[2,3-c]pyridine-5-carboxamide?

The IUPAC name of N-[2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)phenyl]-7-(3,3,3-trifluoropropoxy)furo[2,3-c]pyridine-5-carboxamide (CID 177373073) is N-[2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)phenyl]-7-(3,3,3-trifluoropropoxy)furo[2,3-c]pyridine-5-carboxamide.

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

The canonical SMILES for N-[2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)phenyl]-7-(3,3,3-trifluoropropoxy)furo[2,3-c]pyridine-5-carboxamide is O=C(Nc1ccc(NS(=O)(=O)CCO)cc1N1CCC2(CC1)CC2)c1cc2ccoc2c(OCCC(F)(F)F)n1.

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

The InChIKey is HQLRVVQPXHTEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F3N4O6S/c27-26(28,29)8-13-39-24-22-17(3-12-38-22)15-20(31-24)23(35)30-19-2-1-18(32-40(36,37)14-11-34)16-21(19)33-9-6-25(4-5-25)7-10-33/h1-3,12,15-16,32,34H,4-11,13-14H2,(H,30,35).

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

N-[2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)phenyl]-7-(3,3,3-trifluoropropoxy)furo[2,3-c]pyridine-5-carboxamide has a molecular weight of 582.60 g/mol, XLogP of 4.53, 10 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-hydroxyethylsulfonylamino)phenyl]-7-(3,3,3-trifluoropropoxy)furo[2,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 177373073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).