3-(2,3-dihydro-1H-inden-2-yl)-8-[(1,5-dimethylpyrazol-4-yl)methyl]-1-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

C24H31N5O2 — CID 26140425

About 3-(2,3-dihydro-1H-inden-2-yl)-8-[(1,5-dimethylpyrazol-4-yl)methyl]-1-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

3-(2,3-dihydro-1H-inden-2-yl)-8-[(1,5-dimethylpyrazol-4-yl)methyl]-1-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 26140425) has the molecular formula C24H31N5O2 and a molecular weight of 421.55 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-2-yl)-8-[(1,5-dimethylpyrazol-4-yl)methyl]-1-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

• Compound Name: 3-(2,3-dihydro-1H-inden-2-yl)-8-[(1,5-dimethylpyrazol-4-yl)methyl]-1-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
• PubChem CID: 26140425
• Molecular Formula: C24H31N5O2
• Molecular Weight: 421.55 g/mol
• Exact Mass: 421.25
• IUPAC Name: 3-(2,3-dihydro-1H-inden-2-yl)-8-[(1,5-dimethylpyrazol-4-yl)methyl]-1-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
• SMILES: CCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CCN(Cc1cnn(C)c1C)CC2
• InChI: InChI=1S/C24H31N5O2/c1-4-28-23(31)29(21-13-18-7-5-6-8-19(18)14-21)22(30)24(28)9-11-27(12-10-24)16-20-15-25-26(3)17(20)2/h5-8,15,21H,4,9-14,16H2,1-3H3
• InChIKey: BJWRYUGKBLPAKJ-UHFFFAOYSA-N
• XLogP: 2.51
• TPSA: 61.68 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.55
LogP ≤ 5	2.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-2-yl)-8-[(1,5-dimethylpyrazol-4-yl)methyl]-1-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?

The IUPAC name of 3-(2,3-dihydro-1H-inden-2-yl)-8-[(1,5-dimethylpyrazol-4-yl)methyl]-1-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 26140425) is 3-(2,3-dihydro-1H-inden-2-yl)-8-[(1,5-dimethylpyrazol-4-yl)methyl]-1-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.

What is the SMILES notation for 3-(2,3-dihydro-1H-inden-2-yl)-8-[(1,5-dimethylpyrazol-4-yl)methyl]-1-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?

The canonical SMILES for 3-(2,3-dihydro-1H-inden-2-yl)-8-[(1,5-dimethylpyrazol-4-yl)methyl]-1-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is CCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CCN(Cc1cnn(C)c1C)CC2.

What is the InChIKey of 3-(2,3-dihydro-1H-inden-2-yl)-8-[(1,5-dimethylpyrazol-4-yl)methyl]-1-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?

The InChIKey is BJWRYUGKBLPAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O2/c1-4-28-23(31)29(21-13-18-7-5-6-8-19(18)14-21)22(30)24(28)9-11-27(12-10-24)16-20-15-25-26(3)17(20)2/h5-8,15,21H,4,9-14,16H2,1-3H3.

What are the key properties of 3-(2,3-dihydro-1H-inden-2-yl)-8-[(1,5-dimethylpyrazol-4-yl)methyl]-1-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?

3-(2,3-dihydro-1H-inden-2-yl)-8-[(1,5-dimethylpyrazol-4-yl)methyl]-1-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 421.55 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,3-dihydro-1H-inden-2-yl)-8-[(1,5-dimethylpyrazol-4-yl)methyl]-1-ethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 26140425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).