4-[8-[(6-methoxy-1-propylindazol-3-yl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid

C26H30N4O5 — CID 66765604

About 4-[8-[(6-methoxy-1-propylindazol-3-yl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid

4-[8-[(6-methoxy-1-propylindazol-3-yl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid (PubChem CID 66765604) has the molecular formula C26H30N4O5 and a molecular weight of 478.55 g/mol. Its IUPAC name is 4-[8-[(6-methoxy-1-propylindazol-3-yl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid.

Molecular Properties

• Compound Name: 4-[8-[(6-methoxy-1-propylindazol-3-yl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid
• PubChem CID: 66765604
• Molecular Formula: C26H30N4O5
• Molecular Weight: 478.55 g/mol
• Exact Mass: 478.22
• IUPAC Name: 4-[8-[(6-methoxy-1-propylindazol-3-yl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid
• SMILES: CCCn1nc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)c2ccc(OC)cc21
• InChI: InChI=1S/C26H30N4O5/c1-3-12-30-23-15-20(34-2)8-9-21(23)22(27-30)16-28-13-10-26(11-14-28)17-29(25(33)35-26)19-6-4-18(5-7-19)24(31)32/h4-9,15H,3,10-14,16-17H2,1-2H3,(H,31,32)
• InChIKey: HXDSVSLGJAXARN-UHFFFAOYSA-N
• XLogP: 4.14
• TPSA: 97.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	478.55
LogP ≤ 5	4.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[8-[(6-methoxy-1-propylindazol-3-yl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid?

The IUPAC name of 4-[8-[(6-methoxy-1-propylindazol-3-yl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid (CID 66765604) is 4-[8-[(6-methoxy-1-propylindazol-3-yl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid.

What is the SMILES notation for 4-[8-[(6-methoxy-1-propylindazol-3-yl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid?

The canonical SMILES for 4-[8-[(6-methoxy-1-propylindazol-3-yl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid is CCCn1nc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)c2ccc(OC)cc21.

What is the InChIKey of 4-[8-[(6-methoxy-1-propylindazol-3-yl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid?

The InChIKey is HXDSVSLGJAXARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O5/c1-3-12-30-23-15-20(34-2)8-9-21(23)22(27-30)16-28-13-10-26(11-14-28)17-29(25(33)35-26)19-6-4-18(5-7-19)24(31)32/h4-9,15H,3,10-14,16-17H2,1-2H3,(H,31,32).

What are the key properties of 4-[8-[(6-methoxy-1-propylindazol-3-yl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid?

4-[8-[(6-methoxy-1-propylindazol-3-yl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid has a molecular weight of 478.55 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[8-[(6-methoxy-1-propylindazol-3-yl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid is sourced from PubChem (CID 66765604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).