1'-(2-methoxyethyl)-2-[1-(2-methylidenepent-3-enyl)indazol-6-yl]spiro[cyclopropane-1,3'-indole]-2'-one

C26H27N3O2 — CID 91065728

About 1'-(2-methoxyethyl)-2-[1-(2-methylidenepent-3-enyl)indazol-6-yl]spiro[cyclopropane-1,3'-indole]-2'-one

1'-(2-methoxyethyl)-2-[1-(2-methylidenepent-3-enyl)indazol-6-yl]spiro[cyclopropane-1,3'-indole]-2'-one (PubChem CID 91065728) has the molecular formula C26H27N3O2 and a molecular weight of 413.52 g/mol. Its IUPAC name is 1'-(2-methoxyethyl)-2-[1-(2-methylidenepent-3-enyl)indazol-6-yl]spiro[cyclopropane-1,3'-indole]-2'-one.

Molecular Properties

• Compound Name: 1'-(2-methoxyethyl)-2-[1-(2-methylidenepent-3-enyl)indazol-6-yl]spiro[cyclopropane-1,3'-indole]-2'-one
• PubChem CID: 91065728
• Molecular Formula: C26H27N3O2
• Molecular Weight: 413.52 g/mol
• Exact Mass: 413.21
• IUPAC Name: 1'-(2-methoxyethyl)-2-[1-(2-methylidenepent-3-enyl)indazol-6-yl]spiro[cyclopropane-1,3'-indole]-2'-one
• SMILES: C=C(C=CC)Cn1ncc2ccc(C3CC34C(=O)N(CCOC)c3ccccc34)cc21
• InChI: InChI=1S/C26H27N3O2/c1-4-7-18(2)17-29-24-14-19(10-11-20(24)16-27-29)22-15-26(22)21-8-5-6-9-23(21)28(25(26)30)12-13-31-3/h4-11,14,16,22H,2,12-13,15,17H2,1,3H3
• InChIKey: IJAGFRHTQABLME-UHFFFAOYSA-N
• XLogP: 4.59
• TPSA: 47.36 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	413.52
LogP ≤ 5	4.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1'-(2-methoxyethyl)-2-[1-(2-methylidenepent-3-enyl)indazol-6-yl]spiro[cyclopropane-1,3'-indole]-2'-one?

The IUPAC name of 1'-(2-methoxyethyl)-2-[1-(2-methylidenepent-3-enyl)indazol-6-yl]spiro[cyclopropane-1,3'-indole]-2'-one (CID 91065728) is 1'-(2-methoxyethyl)-2-[1-(2-methylidenepent-3-enyl)indazol-6-yl]spiro[cyclopropane-1,3'-indole]-2'-one.

What is the SMILES notation for 1'-(2-methoxyethyl)-2-[1-(2-methylidenepent-3-enyl)indazol-6-yl]spiro[cyclopropane-1,3'-indole]-2'-one?

The canonical SMILES for 1'-(2-methoxyethyl)-2-[1-(2-methylidenepent-3-enyl)indazol-6-yl]spiro[cyclopropane-1,3'-indole]-2'-one is C=C(C=CC)Cn1ncc2ccc(C3CC34C(=O)N(CCOC)c3ccccc34)cc21.

What is the InChIKey of 1'-(2-methoxyethyl)-2-[1-(2-methylidenepent-3-enyl)indazol-6-yl]spiro[cyclopropane-1,3'-indole]-2'-one?

The InChIKey is IJAGFRHTQABLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O2/c1-4-7-18(2)17-29-24-14-19(10-11-20(24)16-27-29)22-15-26(22)21-8-5-6-9-23(21)28(25(26)30)12-13-31-3/h4-11,14,16,22H,2,12-13,15,17H2,1,3H3.

What are the key properties of 1'-(2-methoxyethyl)-2-[1-(2-methylidenepent-3-enyl)indazol-6-yl]spiro[cyclopropane-1,3'-indole]-2'-one?

1'-(2-methoxyethyl)-2-[1-(2-methylidenepent-3-enyl)indazol-6-yl]spiro[cyclopropane-1,3'-indole]-2'-one has a molecular weight of 413.52 g/mol, XLogP of 4.59, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1'-(2-methoxyethyl)-2-[1-(2-methylidenepent-3-enyl)indazol-6-yl]spiro[cyclopropane-1,3'-indole]-2'-one is sourced from PubChem (CID 91065728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).