[7-benzyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)-2,7-diazaspiro[3.4]octan-2-yl]-pyridin-4-ylmethanone

C22H24N6O — CID 146068743

About [7-benzyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)-2,7-diazaspiro[3.4]octan-2-yl]-pyridin-4-ylmethanone

[7-benzyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)-2,7-diazaspiro[3.4]octan-2-yl]-pyridin-4-ylmethanone (PubChem CID 146068743) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is [7-benzyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)-2,7-diazaspiro[3.4]octan-2-yl]-pyridin-4-ylmethanone.

Molecular Properties

• Compound Name: [7-benzyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)-2,7-diazaspiro[3.4]octan-2-yl]-pyridin-4-ylmethanone
• PubChem CID: 146068743
• Molecular Formula: C22H24N6O
• Molecular Weight: 388.48 g/mol
• Exact Mass: 388.20
• IUPAC Name: [7-benzyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)-2,7-diazaspiro[3.4]octan-2-yl]-pyridin-4-ylmethanone
• SMILES: Cc1nc(C2CN(Cc3ccccc3)CC23CN(C(=O)c2ccncc2)C3)n[nH]1
• InChI: InChI=1S/C22H24N6O/c1-16-24-20(26-25-16)19-12-27(11-17-5-3-2-4-6-17)13-22(19)14-28(15-22)21(29)18-7-9-23-10-8-18/h2-10,19H,11-15H2,1H3,(H,24,25,26)
• InChIKey: MOTNHKUEVMBQIZ-UHFFFAOYSA-N
• XLogP: 2.25
• TPSA: 78.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.48
LogP ≤ 5	2.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [7-benzyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)-2,7-diazaspiro[3.4]octan-2-yl]-pyridin-4-ylmethanone?

The IUPAC name of [7-benzyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)-2,7-diazaspiro[3.4]octan-2-yl]-pyridin-4-ylmethanone (CID 146068743) is [7-benzyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)-2,7-diazaspiro[3.4]octan-2-yl]-pyridin-4-ylmethanone.

What is the SMILES notation for [7-benzyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)-2,7-diazaspiro[3.4]octan-2-yl]-pyridin-4-ylmethanone?

The canonical SMILES for [7-benzyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)-2,7-diazaspiro[3.4]octan-2-yl]-pyridin-4-ylmethanone is Cc1nc(C2CN(Cc3ccccc3)CC23CN(C(=O)c2ccncc2)C3)n[nH]1.

What is the InChIKey of [7-benzyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)-2,7-diazaspiro[3.4]octan-2-yl]-pyridin-4-ylmethanone?

The InChIKey is MOTNHKUEVMBQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O/c1-16-24-20(26-25-16)19-12-27(11-17-5-3-2-4-6-17)13-22(19)14-28(15-22)21(29)18-7-9-23-10-8-18/h2-10,19H,11-15H2,1H3,(H,24,25,26).

What are the key properties of [7-benzyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)-2,7-diazaspiro[3.4]octan-2-yl]-pyridin-4-ylmethanone?

[7-benzyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)-2,7-diazaspiro[3.4]octan-2-yl]-pyridin-4-ylmethanone has a molecular weight of 388.48 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [7-benzyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)-2,7-diazaspiro[3.4]octan-2-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 146068743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).