2-(6-azaspiro[2.5]octan-6-yl)-N-[8-(4,4-difluoropiperidin-1-yl)-3-methylimidazo[1,2-a]pyridin-6-yl]-4-(2-hydroxyethylsulfonylamino)benzamide

C29H36F2N6O4S — CID 171484715

About 2-(6-azaspiro[2.5]octan-6-yl)-N-[8-(4,4-difluoropiperidin-1-yl)-3-methylimidazo[1,2-a]pyridin-6-yl]-4-(2-hydroxyethylsulfonylamino)benzamide

2-(6-azaspiro[2.5]octan-6-yl)-N-[8-(4,4-difluoropiperidin-1-yl)-3-methylimidazo[1,2-a]pyridin-6-yl]-4-(2-hydroxyethylsulfonylamino)benzamide (PubChem CID 171484715) has the molecular formula C29H36F2N6O4S and a molecular weight of 602.71 g/mol. Its IUPAC name is 2-(6-azaspiro[2.5]octan-6-yl)-N-[8-(4,4-difluoropiperidin-1-yl)-3-methylimidazo[1,2-a]pyridin-6-yl]-4-(2-hydroxyethylsulfonylamino)benzamide.

Molecular Properties

• Compound Name: 2-(6-azaspiro[2.5]octan-6-yl)-N-[8-(4,4-difluoropiperidin-1-yl)-3-methylimidazo[1,2-a]pyridin-6-yl]-4-(2-hydroxyethylsulfonylamino)benzamide
• PubChem CID: 171484715
• Molecular Formula: C29H36F2N6O4S
• Molecular Weight: 602.71 g/mol
• Exact Mass: 602.25
• IUPAC Name: 2-(6-azaspiro[2.5]octan-6-yl)-N-[8-(4,4-difluoropiperidin-1-yl)-3-methylimidazo[1,2-a]pyridin-6-yl]-4-(2-hydroxyethylsulfonylamino)benzamide
• SMILES: Cc1cnc2c(N3CCC(F)(F)CC3)cc(NC(=O)c3ccc(NS(=O)(=O)CCO)cc3N3CCC4(CC3)CC4)cn12
• InChI: InChI=1S/C29H36F2N6O4S/c1-20-18-32-26-25(36-12-8-29(30,31)9-13-36)17-22(19-37(20)26)33-27(39)23-3-2-21(34-42(40,41)15-14-38)16-24(23)35-10-6-28(4-5-28)7-11-35/h2-3,16-19,34,38H,4-15H2,1H3,(H,33,39)
• InChIKey: HDWNCIGAUJMKJX-UHFFFAOYSA-N
• XLogP: 4.24
• TPSA: 119.28 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	602.71
LogP ≤ 5	4.24
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-[8-(4,4-difluoropiperidin-1-yl)-3-methylimidazo[1,2-a]pyridin-6-yl]-4-(2-hydroxyethylsulfonylamino)benzamide?

The IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-N-[8-(4,4-difluoropiperidin-1-yl)-3-methylimidazo[1,2-a]pyridin-6-yl]-4-(2-hydroxyethylsulfonylamino)benzamide (CID 171484715) is 2-(6-azaspiro[2.5]octan-6-yl)-N-[8-(4,4-difluoropiperidin-1-yl)-3-methylimidazo[1,2-a]pyridin-6-yl]-4-(2-hydroxyethylsulfonylamino)benzamide.

What is the SMILES notation for 2-(6-azaspiro[2.5]octan-6-yl)-N-[8-(4,4-difluoropiperidin-1-yl)-3-methylimidazo[1,2-a]pyridin-6-yl]-4-(2-hydroxyethylsulfonylamino)benzamide?

The canonical SMILES for 2-(6-azaspiro[2.5]octan-6-yl)-N-[8-(4,4-difluoropiperidin-1-yl)-3-methylimidazo[1,2-a]pyridin-6-yl]-4-(2-hydroxyethylsulfonylamino)benzamide is Cc1cnc2c(N3CCC(F)(F)CC3)cc(NC(=O)c3ccc(NS(=O)(=O)CCO)cc3N3CCC4(CC3)CC4)cn12.

What is the InChIKey of 2-(6-azaspiro[2.5]octan-6-yl)-N-[8-(4,4-difluoropiperidin-1-yl)-3-methylimidazo[1,2-a]pyridin-6-yl]-4-(2-hydroxyethylsulfonylamino)benzamide?

The InChIKey is HDWNCIGAUJMKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36F2N6O4S/c1-20-18-32-26-25(36-12-8-29(30,31)9-13-36)17-22(19-37(20)26)33-27(39)23-3-2-21(34-42(40,41)15-14-38)16-24(23)35-10-6-28(4-5-28)7-11-35/h2-3,16-19,34,38H,4-15H2,1H3,(H,33,39).

What are the key properties of 2-(6-azaspiro[2.5]octan-6-yl)-N-[8-(4,4-difluoropiperidin-1-yl)-3-methylimidazo[1,2-a]pyridin-6-yl]-4-(2-hydroxyethylsulfonylamino)benzamide?

2-(6-azaspiro[2.5]octan-6-yl)-N-[8-(4,4-difluoropiperidin-1-yl)-3-methylimidazo[1,2-a]pyridin-6-yl]-4-(2-hydroxyethylsulfonylamino)benzamide has a molecular weight of 602.71 g/mol, XLogP of 4.24, 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-[8-(4,4-difluoropiperidin-1-yl)-3-methylimidazo[1,2-a]pyridin-6-yl]-4-(2-hydroxyethylsulfonylamino)benzamide is sourced from PubChem (CID 171484715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).