3-[5-[5-[2-(2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-2-pyridinyl]-N,N-dimethylpropanamide

C25H26N6O2 — CID 158981186

About 3-[5-[5-[2-(2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-2-pyridinyl]-N,N-dimethylpropanamide

3-[5-[5-[2-(2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-2-pyridinyl]-N,N-dimethylpropanamide (PubChem CID 158981186) has the molecular formula C25H26N6O2 and a molecular weight of 442.52 g/mol. Its IUPAC name is 3-[5-[5-[2-(2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-2-pyridinyl]-N,N-dimethylpropanamide.

Molecular Properties

• Compound Name: 3-[5-[5-[2-(2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-2-pyridinyl]-N,N-dimethylpropanamide
• PubChem CID: 158981186
• Molecular Formula: C25H26N6O2
• Molecular Weight: 442.52 g/mol
• Exact Mass: 442.21
• IUPAC Name: 3-[5-[5-[2-(2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-2-pyridinyl]-N,N-dimethylpropanamide
• SMILES: CN(C)C(=O)CCc1ccc(-c2cnc(CCc3cccc4c3CCO4)n3cnnc23)cn1
• InChI: InChI=1S/C25H26N6O2/c1-30(2)24(32)11-9-19-8-6-18(14-26-19)21-15-27-23(31-16-28-29-25(21)31)10-7-17-4-3-5-22-20(17)12-13-33-22/h3-6,8,14-16H,7,9-13H2,1-2H3
• InChIKey: JPAGLWNYXUNQMP-UHFFFAOYSA-N
• XLogP: 2.93
• TPSA: 85.51 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.52
LogP ≤ 5	2.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[5-[5-[2-(2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-2-pyridinyl]-N,N-dimethylpropanamide?

The IUPAC name of 3-[5-[5-[2-(2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-2-pyridinyl]-N,N-dimethylpropanamide (CID 158981186) is 3-[5-[5-[2-(2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-2-pyridinyl]-N,N-dimethylpropanamide.

What is the SMILES notation for 3-[5-[5-[2-(2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-2-pyridinyl]-N,N-dimethylpropanamide?

The canonical SMILES for 3-[5-[5-[2-(2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-2-pyridinyl]-N,N-dimethylpropanamide is CN(C)C(=O)CCc1ccc(-c2cnc(CCc3cccc4c3CCO4)n3cnnc23)cn1.

What is the InChIKey of 3-[5-[5-[2-(2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-2-pyridinyl]-N,N-dimethylpropanamide?

The InChIKey is JPAGLWNYXUNQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O2/c1-30(2)24(32)11-9-19-8-6-18(14-26-19)21-15-27-23(31-16-28-29-25(21)31)10-7-17-4-3-5-22-20(17)12-13-33-22/h3-6,8,14-16H,7,9-13H2,1-2H3.

What are the key properties of 3-[5-[5-[2-(2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-2-pyridinyl]-N,N-dimethylpropanamide?

3-[5-[5-[2-(2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-2-pyridinyl]-N,N-dimethylpropanamide has a molecular weight of 442.52 g/mol, XLogP of 2.93, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-[5-[2-(2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-2-pyridinyl]-N,N-dimethylpropanamide is sourced from PubChem (CID 158981186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).