3-methyl-8-(3-methylimidazo[4,5-b]pyridine-7-carbonyl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

C20H26N6O3 — CID 165418309

About 3-methyl-8-(3-methylimidazo[4,5-b]pyridine-7-carbonyl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

3-methyl-8-(3-methylimidazo[4,5-b]pyridine-7-carbonyl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 165418309) has the molecular formula C20H26N6O3 and a molecular weight of 398.47 g/mol. Its IUPAC name is 3-methyl-8-(3-methylimidazo[4,5-b]pyridine-7-carbonyl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

• Compound Name: 3-methyl-8-(3-methylimidazo[4,5-b]pyridine-7-carbonyl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• PubChem CID: 165418309
• Molecular Formula: C20H26N6O3
• Molecular Weight: 398.47 g/mol
• Exact Mass: 398.21
• IUPAC Name: 3-methyl-8-(3-methylimidazo[4,5-b]pyridine-7-carbonyl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
• SMILES: CC(C)CN1C(=O)N(C)C(=O)C12CCN(C(=O)c1ccnc3c1ncn3C)CC2
• InChI: InChI=1S/C20H26N6O3/c1-13(2)11-26-19(29)24(4)18(28)20(26)6-9-25(10-7-20)17(27)14-5-8-21-16-15(14)22-12-23(16)3/h5,8,12-13H,6-7,9-11H2,1-4H3
• InChIKey: XZGMMKGOZONGND-UHFFFAOYSA-N
• XLogP: 1.49
• TPSA: 91.64 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	398.47
LogP ≤ 5	1.49
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 3-methyl-8-(3-methylimidazo[4,5-b]pyridine-7-carbonyl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?

The IUPAC name of 3-methyl-8-(3-methylimidazo[4,5-b]pyridine-7-carbonyl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 165418309) is 3-methyl-8-(3-methylimidazo[4,5-b]pyridine-7-carbonyl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

What is the SMILES notation for 3-methyl-8-(3-methylimidazo[4,5-b]pyridine-7-carbonyl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?

The canonical SMILES for 3-methyl-8-(3-methylimidazo[4,5-b]pyridine-7-carbonyl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is CC(C)CN1C(=O)N(C)C(=O)C12CCN(C(=O)c1ccnc3c1ncn3C)CC2.

What is the InChIKey of 3-methyl-8-(3-methylimidazo[4,5-b]pyridine-7-carbonyl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?

The InChIKey is XZGMMKGOZONGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O3/c1-13(2)11-26-19(29)24(4)18(28)20(26)6-9-25(10-7-20)17(27)14-5-8-21-16-15(14)22-12-23(16)3/h5,8,12-13H,6-7,9-11H2,1-4H3.

What are the key properties of 3-methyl-8-(3-methylimidazo[4,5-b]pyridine-7-carbonyl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?

3-methyl-8-(3-methylimidazo[4,5-b]pyridine-7-carbonyl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 398.47 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-8-(3-methylimidazo[4,5-b]pyridine-7-carbonyl)-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 165418309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).