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

C25H36N6O2 — CID 26225610

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

8-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-methylpropyl)-3-(3-pyridin-3-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 26225610) has the molecular formula C25H36N6O2 and a molecular weight of 452.60 g/mol. Its IUPAC name is 8-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-methylpropyl)-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-methylpropyl)-3-(3-pyridin-3-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• PubChem CID: 26225610
• Molecular Formula: C25H36N6O2
• Molecular Weight: 452.60 g/mol
• Exact Mass: 452.29
• IUPAC Name: 8-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-methylpropyl)-3-(3-pyridin-3-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• SMILES: Cc1nn(C)cc1CN1CCC2(CC1)C(=O)N(CCCc1cccnc1)C(=O)N2CC(C)C
• InChI: InChI=1S/C25H36N6O2/c1-19(2)16-31-24(33)30(12-6-8-21-7-5-11-26-15-21)23(32)25(31)9-13-29(14-10-25)18-22-17-28(4)27-20(22)3/h5,7,11,15,17,19H,6,8-10,12-14,16,18H2,1-4H3
• InChIKey: WADADBYMGKFBKZ-UHFFFAOYSA-N
• XLogP: 3.01
• TPSA: 74.57 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.60
LogP ≤ 5	3.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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-methylpropyl)-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-methylpropyl)-3-(3-pyridin-3-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 26225610) is 8-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-methylpropyl)-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-methylpropyl)-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-methylpropyl)-3-(3-pyridin-3-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is Cc1nn(C)cc1CN1CCC2(CC1)C(=O)N(CCCc1cccnc1)C(=O)N2CC(C)C.

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

The InChIKey is WADADBYMGKFBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N6O2/c1-19(2)16-31-24(33)30(12-6-8-21-7-5-11-26-15-21)23(32)25(31)9-13-29(14-10-25)18-22-17-28(4)27-20(22)3/h5,7,11,15,17,19H,6,8-10,12-14,16,18H2,1-4H3.

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

8-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-methylpropyl)-3-(3-pyridin-3-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 452.60 g/mol, XLogP of 3.01, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-methylpropyl)-3-(3-pyridin-3-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 26225610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).