2-[4-[3-[1-cyclopropyl-1-[4-[3-methyl-5-(methylamino)pyrazin-2-yl]phenyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide

C26H30N8O2 — CID 123411940

About 2-[4-[3-[1-cyclopropyl-1-[4-[3-methyl-5-(methylamino)pyrazin-2-yl]phenyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide

2-[4-[3-[1-cyclopropyl-1-[4-[3-methyl-5-(methylamino)pyrazin-2-yl]phenyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide (PubChem CID 123411940) has the molecular formula C26H30N8O2 and a molecular weight of 486.58 g/mol. Its IUPAC name is 2-[4-[3-[1-cyclopropyl-1-[4-[3-methyl-5-(methylamino)pyrazin-2-yl]phenyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide.

Molecular Properties

• Compound Name: 2-[4-[3-[1-cyclopropyl-1-[4-[3-methyl-5-(methylamino)pyrazin-2-yl]phenyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide
• PubChem CID: 123411940
• Molecular Formula: C26H30N8O2
• Molecular Weight: 486.58 g/mol
• Exact Mass: 486.25
• IUPAC Name: 2-[4-[3-[1-cyclopropyl-1-[4-[3-methyl-5-(methylamino)pyrazin-2-yl]phenyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide
• SMILES: CNc1cnc(-c2ccc(C(C)(c3noc(-c4cnn(CC(=O)N(C)C)c4)n3)C3CC3)cc2)c(C)n1
• InChI: InChI=1S/C26H30N8O2/c1-16-23(28-13-21(27-3)30-16)17-6-8-19(9-7-17)26(2,20-10-11-20)25-31-24(36-32-25)18-12-29-34(14-18)15-22(35)33(4)5/h6-9,12-14,20H,10-11,15H2,1-5H3,(H,27,30)
• InChIKey: VUZDTBMXBDSZNH-UHFFFAOYSA-N
• XLogP: 3.54
• TPSA: 114.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	486.58
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[1-cyclopropyl-1-[4-[3-methyl-5-(methylamino)pyrazin-2-yl]phenyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide?

The IUPAC name of 2-[4-[3-[1-cyclopropyl-1-[4-[3-methyl-5-(methylamino)pyrazin-2-yl]phenyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide (CID 123411940) is 2-[4-[3-[1-cyclopropyl-1-[4-[3-methyl-5-(methylamino)pyrazin-2-yl]phenyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide.

What is the SMILES notation for 2-[4-[3-[1-cyclopropyl-1-[4-[3-methyl-5-(methylamino)pyrazin-2-yl]phenyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide?

The canonical SMILES for 2-[4-[3-[1-cyclopropyl-1-[4-[3-methyl-5-(methylamino)pyrazin-2-yl]phenyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide is CNc1cnc(-c2ccc(C(C)(c3noc(-c4cnn(CC(=O)N(C)C)c4)n3)C3CC3)cc2)c(C)n1.

What is the InChIKey of 2-[4-[3-[1-cyclopropyl-1-[4-[3-methyl-5-(methylamino)pyrazin-2-yl]phenyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide?

The InChIKey is VUZDTBMXBDSZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N8O2/c1-16-23(28-13-21(27-3)30-16)17-6-8-19(9-7-17)26(2,20-10-11-20)25-31-24(36-32-25)18-12-29-34(14-18)15-22(35)33(4)5/h6-9,12-14,20H,10-11,15H2,1-5H3,(H,27,30).

What are the key properties of 2-[4-[3-[1-cyclopropyl-1-[4-[3-methyl-5-(methylamino)pyrazin-2-yl]phenyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide?

2-[4-[3-[1-cyclopropyl-1-[4-[3-methyl-5-(methylamino)pyrazin-2-yl]phenyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide has a molecular weight of 486.58 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[3-[1-cyclopropyl-1-[4-[3-methyl-5-(methylamino)pyrazin-2-yl]phenyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 123411940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).