1'-(2-ethoxyethyl)-2-(3-ethyl-2H-indazol-6-yl)spiro[cyclopropane-1,3'-indole]-2'-one

C23H25N3O2 — CID 123454906

About 1'-(2-ethoxyethyl)-2-(3-ethyl-2H-indazol-6-yl)spiro[cyclopropane-1,3'-indole]-2'-one

1'-(2-ethoxyethyl)-2-(3-ethyl-2H-indazol-6-yl)spiro[cyclopropane-1,3'-indole]-2'-one (PubChem CID 123454906) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 1'-(2-ethoxyethyl)-2-(3-ethyl-2H-indazol-6-yl)spiro[cyclopropane-1,3'-indole]-2'-one.

Molecular Properties

• Compound Name: 1'-(2-ethoxyethyl)-2-(3-ethyl-2H-indazol-6-yl)spiro[cyclopropane-1,3'-indole]-2'-one
• PubChem CID: 123454906
• Molecular Formula: C23H25N3O2
• Molecular Weight: 375.47 g/mol
• Exact Mass: 375.19
• IUPAC Name: 1'-(2-ethoxyethyl)-2-(3-ethyl-2H-indazol-6-yl)spiro[cyclopropane-1,3'-indole]-2'-one
• SMILES: CCOCCN1C(=O)C2(CC2c2ccc3c(CC)[nH]nc3c2)c2ccccc21
• InChI: InChI=1S/C23H25N3O2/c1-3-19-16-10-9-15(13-20(16)25-24-19)18-14-23(18)17-7-5-6-8-21(17)26(22(23)27)11-12-28-4-2/h5-10,13,18H,3-4,11-12,14H2,1-2H3,(H,24,25)
• InChIKey: ZRFQUCUSIBMCQG-UHFFFAOYSA-N
• XLogP: 3.93
• TPSA: 58.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	375.47
LogP ≤ 5	3.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 1'-(2-ethoxyethyl)-2-(3-ethyl-2H-indazol-6-yl)spiro[cyclopropane-1,3'-indole]-2'-one (CID 123454906) is 1'-(2-ethoxyethyl)-2-(3-ethyl-2H-indazol-6-yl)spiro[cyclopropane-1,3'-indole]-2'-one.

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

The canonical SMILES for 1'-(2-ethoxyethyl)-2-(3-ethyl-2H-indazol-6-yl)spiro[cyclopropane-1,3'-indole]-2'-one is CCOCCN1C(=O)C2(CC2c2ccc3c(CC)[nH]nc3c2)c2ccccc21.

What is the InChIKey of 1'-(2-ethoxyethyl)-2-(3-ethyl-2H-indazol-6-yl)spiro[cyclopropane-1,3'-indole]-2'-one?

The InChIKey is ZRFQUCUSIBMCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-3-19-16-10-9-15(13-20(16)25-24-19)18-14-23(18)17-7-5-6-8-21(17)26(22(23)27)11-12-28-4-2/h5-10,13,18H,3-4,11-12,14H2,1-2H3,(H,24,25).

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

1'-(2-ethoxyethyl)-2-(3-ethyl-2H-indazol-6-yl)spiro[cyclopropane-1,3'-indole]-2'-one has a molecular weight of 375.47 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1'-(2-ethoxyethyl)-2-(3-ethyl-2H-indazol-6-yl)spiro[cyclopropane-1,3'-indole]-2'-one is sourced from PubChem (CID 123454906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).