3-[2-hydroxy-3-[[8-[(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)sulfonyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]amino]propoxy]-N-methylbenzenesulfonamide

C25H34N6O7S2 — CID 138680685

About 3-[2-hydroxy-3-[[8-[(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)sulfonyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]amino]propoxy]-N-methylbenzenesulfonamide

3-[2-hydroxy-3-[[8-[(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)sulfonyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]amino]propoxy]-N-methylbenzenesulfonamide (PubChem CID 138680685) has the molecular formula C25H34N6O7S2 and a molecular weight of 594.72 g/mol. Its IUPAC name is 3-[2-hydroxy-3-[[8-[(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)sulfonyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]amino]propoxy]-N-methylbenzenesulfonamide.

Molecular Properties

• Compound Name: 3-[2-hydroxy-3-[[8-[(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)sulfonyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]amino]propoxy]-N-methylbenzenesulfonamide
• PubChem CID: 138680685
• Molecular Formula: C25H34N6O7S2
• Molecular Weight: 594.72 g/mol
• Exact Mass: 594.19
• IUPAC Name: 3-[2-hydroxy-3-[[8-[(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)sulfonyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]amino]propoxy]-N-methylbenzenesulfonamide
• SMILES: CNS(=O)(=O)c1cccc(OCC(O)CNC2COC3(CCN(S(=O)(=O)c4cnc5nc(C)[nH]c5c4)CC3)C2)c1
• InChI: InChI=1S/C25H34N6O7S2/c1-17-29-23-11-22(14-28-24(23)30-17)40(35,36)31-8-6-25(7-9-31)12-18(15-38-25)27-13-19(32)16-37-20-4-3-5-21(10-20)39(33,34)26-2/h3-5,10-11,14,18-19,26-27,32H,6-9,12-13,15-16H2,1-2H3,(H,28,29,30)
• InChIKey: UGYJLDVAODZZCA-UHFFFAOYSA-N
• XLogP: 0.52
• TPSA: 175.84 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	594.72
LogP ≤ 5	0.52
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxy-3-[[8-[(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)sulfonyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]amino]propoxy]-N-methylbenzenesulfonamide?

The IUPAC name of 3-[2-hydroxy-3-[[8-[(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)sulfonyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]amino]propoxy]-N-methylbenzenesulfonamide (CID 138680685) is 3-[2-hydroxy-3-[[8-[(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)sulfonyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]amino]propoxy]-N-methylbenzenesulfonamide.

What is the SMILES notation for 3-[2-hydroxy-3-[[8-[(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)sulfonyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]amino]propoxy]-N-methylbenzenesulfonamide?

The canonical SMILES for 3-[2-hydroxy-3-[[8-[(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)sulfonyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]amino]propoxy]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1cccc(OCC(O)CNC2COC3(CCN(S(=O)(=O)c4cnc5nc(C)[nH]c5c4)CC3)C2)c1.

What is the InChIKey of 3-[2-hydroxy-3-[[8-[(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)sulfonyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]amino]propoxy]-N-methylbenzenesulfonamide?

The InChIKey is UGYJLDVAODZZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N6O7S2/c1-17-29-23-11-22(14-28-24(23)30-17)40(35,36)31-8-6-25(7-9-31)12-18(15-38-25)27-13-19(32)16-37-20-4-3-5-21(10-20)39(33,34)26-2/h3-5,10-11,14,18-19,26-27,32H,6-9,12-13,15-16H2,1-2H3,(H,28,29,30).

What are the key properties of 3-[2-hydroxy-3-[[8-[(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)sulfonyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]amino]propoxy]-N-methylbenzenesulfonamide?

3-[2-hydroxy-3-[[8-[(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)sulfonyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]amino]propoxy]-N-methylbenzenesulfonamide has a molecular weight of 594.72 g/mol, XLogP of 0.52, 10 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-hydroxy-3-[[8-[(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)sulfonyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]amino]propoxy]-N-methylbenzenesulfonamide is sourced from PubChem (CID 138680685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).