8-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-methoxyethyl)-3-(3-pyridin-3-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

C24H34N6O3 — CID 26234905

About 8-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-methoxyethyl)-3-(3-pyridin-3-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-methoxyethyl)-3-(3-pyridin-3-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 26234905) has the molecular formula C24H34N6O3 and a molecular weight of 454.58 g/mol. Its IUPAC name is 8-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-methoxyethyl)-3-(3-pyridin-3-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

• Compound Name: 8-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-methoxyethyl)-3-(3-pyridin-3-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• PubChem CID: 26234905
• Molecular Formula: C24H34N6O3
• Molecular Weight: 454.58 g/mol
• Exact Mass: 454.27
• IUPAC Name: 8-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-methoxyethyl)-3-(3-pyridin-3-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• SMILES: COCCN1C(=O)N(CCCc2cccnc2)C(=O)C12CCN(Cc1cn(C)nc1C)CC2
• InChI: InChI=1S/C24H34N6O3/c1-19-21(17-27(2)26-19)18-28-12-8-24(9-13-28)22(31)29(23(32)30(24)14-15-33-3)11-5-7-20-6-4-10-25-16-20/h4,6,10,16-17H,5,7-9,11-15,18H2,1-3H3
• InChIKey: BPRYVROJGZSGQI-UHFFFAOYSA-N
• XLogP: 2.00
• TPSA: 83.80 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	454.58
LogP ≤ 5	2.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-methoxyethyl)-3-(3-pyridin-3-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?

The IUPAC name of 8-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-methoxyethyl)-3-(3-pyridin-3-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 26234905) is 8-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-methoxyethyl)-3-(3-pyridin-3-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

What is the SMILES notation for 8-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-methoxyethyl)-3-(3-pyridin-3-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?

The canonical SMILES for 8-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-methoxyethyl)-3-(3-pyridin-3-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is COCCN1C(=O)N(CCCc2cccnc2)C(=O)C12CCN(Cc1cn(C)nc1C)CC2.

What is the InChIKey of 8-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-methoxyethyl)-3-(3-pyridin-3-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?

The InChIKey is BPRYVROJGZSGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N6O3/c1-19-21(17-27(2)26-19)18-28-12-8-24(9-13-28)22(31)29(23(32)30(24)14-15-33-3)11-5-7-20-6-4-10-25-16-20/h4,6,10,16-17H,5,7-9,11-15,18H2,1-3H3.

What are the key properties of 8-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-methoxyethyl)-3-(3-pyridin-3-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?

8-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-methoxyethyl)-3-(3-pyridin-3-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 454.58 g/mol, XLogP of 2.00, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-methoxyethyl)-3-(3-pyridin-3-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 26234905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).