2-(6-azaspiro[2.5]octan-6-yl)-N-[7-(3-fluoro-3-methylpyrrolidin-1-yl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-4-(2-hydroxyethylsulfonylamino)benzamide

C28H36FN5O5S — CID 176791574

About 2-(6-azaspiro[2.5]octan-6-yl)-N-[7-(3-fluoro-3-methylpyrrolidin-1-yl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-4-(2-hydroxyethylsulfonylamino)benzamide

2-(6-azaspiro[2.5]octan-6-yl)-N-[7-(3-fluoro-3-methylpyrrolidin-1-yl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-4-(2-hydroxyethylsulfonylamino)benzamide (PubChem CID 176791574) has the molecular formula C28H36FN5O5S and a molecular weight of 573.69 g/mol. Its IUPAC name is 2-(6-azaspiro[2.5]octan-6-yl)-N-[7-(3-fluoro-3-methylpyrrolidin-1-yl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-4-(2-hydroxyethylsulfonylamino)benzamide.

Molecular Properties

• Compound Name: 2-(6-azaspiro[2.5]octan-6-yl)-N-[7-(3-fluoro-3-methylpyrrolidin-1-yl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-4-(2-hydroxyethylsulfonylamino)benzamide
• PubChem CID: 176791574
• Molecular Formula: C28H36FN5O5S
• Molecular Weight: 573.69 g/mol
• Exact Mass: 573.24
• IUPAC Name: 2-(6-azaspiro[2.5]octan-6-yl)-N-[7-(3-fluoro-3-methylpyrrolidin-1-yl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-4-(2-hydroxyethylsulfonylamino)benzamide
• SMILES: CC1(F)CCN(c2nc(NC(=O)c3ccc(NS(=O)(=O)CCO)cc3N3CCC4(CC3)CC4)cc3c2OCC3)C1
• InChI: InChI=1S/C28H36FN5O5S/c1-27(29)7-10-34(18-27)25-24-19(4-14-39-24)16-23(30-25)31-26(36)21-3-2-20(32-40(37,38)15-13-35)17-22(21)33-11-8-28(5-6-28)9-12-33/h2-3,16-17,32,35H,4-15,18H2,1H3,(H,30,31,36)
• InChIKey: NRSWDBORPZBPQZ-UHFFFAOYSA-N
• XLogP: 3.32
• 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	573.69
LogP ≤ 5	3.32
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-[7-(3-fluoro-3-methylpyrrolidin-1-yl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-4-(2-hydroxyethylsulfonylamino)benzamide?

The IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-N-[7-(3-fluoro-3-methylpyrrolidin-1-yl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-4-(2-hydroxyethylsulfonylamino)benzamide (CID 176791574) is 2-(6-azaspiro[2.5]octan-6-yl)-N-[7-(3-fluoro-3-methylpyrrolidin-1-yl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-4-(2-hydroxyethylsulfonylamino)benzamide.

What is the SMILES notation for 2-(6-azaspiro[2.5]octan-6-yl)-N-[7-(3-fluoro-3-methylpyrrolidin-1-yl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-4-(2-hydroxyethylsulfonylamino)benzamide?

The canonical SMILES for 2-(6-azaspiro[2.5]octan-6-yl)-N-[7-(3-fluoro-3-methylpyrrolidin-1-yl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-4-(2-hydroxyethylsulfonylamino)benzamide is CC1(F)CCN(c2nc(NC(=O)c3ccc(NS(=O)(=O)CCO)cc3N3CCC4(CC3)CC4)cc3c2OCC3)C1.

What is the InChIKey of 2-(6-azaspiro[2.5]octan-6-yl)-N-[7-(3-fluoro-3-methylpyrrolidin-1-yl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-4-(2-hydroxyethylsulfonylamino)benzamide?

The InChIKey is NRSWDBORPZBPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36FN5O5S/c1-27(29)7-10-34(18-27)25-24-19(4-14-39-24)16-23(30-25)31-26(36)21-3-2-20(32-40(37,38)15-13-35)17-22(21)33-11-8-28(5-6-28)9-12-33/h2-3,16-17,32,35H,4-15,18H2,1H3,(H,30,31,36).

What are the key properties of 2-(6-azaspiro[2.5]octan-6-yl)-N-[7-(3-fluoro-3-methylpyrrolidin-1-yl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-4-(2-hydroxyethylsulfonylamino)benzamide?

2-(6-azaspiro[2.5]octan-6-yl)-N-[7-(3-fluoro-3-methylpyrrolidin-1-yl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-4-(2-hydroxyethylsulfonylamino)benzamide has a molecular weight of 573.69 g/mol, XLogP of 3.32, 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-[7-(3-fluoro-3-methylpyrrolidin-1-yl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-4-(2-hydroxyethylsulfonylamino)benzamide is sourced from PubChem (CID 176791574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).