7,9-dibromo-N-[5-[(7,9-dibromo-10-hydroxy-8-methoxy-2-azaspiro[4.5]deca-2,6,8-triene-3-carbonyl)amino]-2-oxopentyl]-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide

C26H28Br4N4O8 — CID 163107811

About 7,9-dibromo-N-[5-[(7,9-dibromo-10-hydroxy-8-methoxy-2-azaspiro[4.5]deca-2,6,8-triene-3-carbonyl)amino]-2-oxopentyl]-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide

7,9-dibromo-N-[5-[(7,9-dibromo-10-hydroxy-8-methoxy-2-azaspiro[4.5]deca-2,6,8-triene-3-carbonyl)amino]-2-oxopentyl]-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide (PubChem CID 163107811) has the molecular formula C26H28Br4N4O8 and a molecular weight of 844.15 g/mol. Its IUPAC name is 7,9-dibromo-N-[5-[(7,9-dibromo-10-hydroxy-8-methoxy-2-azaspiro[4.5]deca-2,6,8-triene-3-carbonyl)amino]-2-oxopentyl]-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide.

Molecular Properties

• Compound Name: 7,9-dibromo-N-[5-[(7,9-dibromo-10-hydroxy-8-methoxy-2-azaspiro[4.5]deca-2,6,8-triene-3-carbonyl)amino]-2-oxopentyl]-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide
• PubChem CID: 163107811
• Molecular Formula: C26H28Br4N4O8
• Molecular Weight: 844.15 g/mol
• Exact Mass: 839.86
• IUPAC Name: 7,9-dibromo-N-[5-[(7,9-dibromo-10-hydroxy-8-methoxy-2-azaspiro[4.5]deca-2,6,8-triene-3-carbonyl)amino]-2-oxopentyl]-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide
• SMILES: COC1=C(Br)C(O)C2(C=C1Br)CN=C(C(=O)NCCCC(=O)CNC(=O)C1=NOC3(C=C(Br)C(OC)=C(Br)C3O)C1)C2
• InChI: InChI=1S/C26H28Br4N4O8/c1-40-19-13(27)6-25(21(36)17(19)29)8-15(33-11-25)23(38)31-5-3-4-12(35)10-32-24(39)16-9-26(42-34-16)7-14(28)20(41-2)18(30)22(26)37/h6-7,21-22,36-37H,3-5,8-11H2,1-2H3,(H,31,38)(H,32,39)
• InChIKey: CDWOVYJFWDGERN-UHFFFAOYSA-N
• XLogP: 2.73
• TPSA: 168.14 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	844.15
LogP ≤ 5	2.73
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7,9-dibromo-N-[5-[(7,9-dibromo-10-hydroxy-8-methoxy-2-azaspiro[4.5]deca-2,6,8-triene-3-carbonyl)amino]-2-oxopentyl]-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide?

The IUPAC name of 7,9-dibromo-N-[5-[(7,9-dibromo-10-hydroxy-8-methoxy-2-azaspiro[4.5]deca-2,6,8-triene-3-carbonyl)amino]-2-oxopentyl]-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide (CID 163107811) is 7,9-dibromo-N-[5-[(7,9-dibromo-10-hydroxy-8-methoxy-2-azaspiro[4.5]deca-2,6,8-triene-3-carbonyl)amino]-2-oxopentyl]-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide.

What is the SMILES notation for 7,9-dibromo-N-[5-[(7,9-dibromo-10-hydroxy-8-methoxy-2-azaspiro[4.5]deca-2,6,8-triene-3-carbonyl)amino]-2-oxopentyl]-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide?

The canonical SMILES for 7,9-dibromo-N-[5-[(7,9-dibromo-10-hydroxy-8-methoxy-2-azaspiro[4.5]deca-2,6,8-triene-3-carbonyl)amino]-2-oxopentyl]-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide is COC1=C(Br)C(O)C2(C=C1Br)CN=C(C(=O)NCCCC(=O)CNC(=O)C1=NOC3(C=C(Br)C(OC)=C(Br)C3O)C1)C2.

What is the InChIKey of 7,9-dibromo-N-[5-[(7,9-dibromo-10-hydroxy-8-methoxy-2-azaspiro[4.5]deca-2,6,8-triene-3-carbonyl)amino]-2-oxopentyl]-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide?

The InChIKey is CDWOVYJFWDGERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28Br4N4O8/c1-40-19-13(27)6-25(21(36)17(19)29)8-15(33-11-25)23(38)31-5-3-4-12(35)10-32-24(39)16-9-26(42-34-16)7-14(28)20(41-2)18(30)22(26)37/h6-7,21-22,36-37H,3-5,8-11H2,1-2H3,(H,31,38)(H,32,39).

What are the key properties of 7,9-dibromo-N-[5-[(7,9-dibromo-10-hydroxy-8-methoxy-2-azaspiro[4.5]deca-2,6,8-triene-3-carbonyl)amino]-2-oxopentyl]-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide?

7,9-dibromo-N-[5-[(7,9-dibromo-10-hydroxy-8-methoxy-2-azaspiro[4.5]deca-2,6,8-triene-3-carbonyl)amino]-2-oxopentyl]-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide has a molecular weight of 844.15 g/mol, XLogP of 2.73, 10 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 7,9-dibromo-N-[5-[(7,9-dibromo-10-hydroxy-8-methoxy-2-azaspiro[4.5]deca-2,6,8-triene-3-carbonyl)amino]-2-oxopentyl]-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide is sourced from PubChem (CID 163107811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).