2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-1-(3-hydroxypyrrolidin-1-yl)ethanone

C25H26N8O3 — CID 56849174

About 2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-1-(3-hydroxypyrrolidin-1-yl)ethanone

2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-1-(3-hydroxypyrrolidin-1-yl)ethanone (PubChem CID 56849174) has the molecular formula C25H26N8O3 and a molecular weight of 486.54 g/mol. Its IUPAC name is 2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-1-(3-hydroxypyrrolidin-1-yl)ethanone.

Molecular Properties

• Compound Name: 2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-1-(3-hydroxypyrrolidin-1-yl)ethanone
• PubChem CID: 56849174
• Molecular Formula: C25H26N8O3
• Molecular Weight: 486.54 g/mol
• Exact Mass: 486.21
• IUPAC Name: 2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-1-(3-hydroxypyrrolidin-1-yl)ethanone
• SMILES: Nc1ncc(-c2ccc(C3(c4noc(-c5cnn(CC(=O)N6CCC(O)C6)c5)n4)CCC3)cc2)cn1
• InChI: InChI=1S/C25H26N8O3/c26-24-27-10-17(11-28-24)16-2-4-19(5-3-16)25(7-1-8-25)23-30-22(36-31-23)18-12-29-33(13-18)15-21(35)32-9-6-20(34)14-32/h2-5,10-13,20,34H,1,6-9,14-15H2,(H2,26,27,28)
• InChIKey: OAQPTFZCFOZBRZ-UHFFFAOYSA-N
• XLogP: 2.04
• TPSA: 149.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	486.54
LogP ≤ 5	2.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-1-(3-hydroxypyrrolidin-1-yl)ethanone?

The IUPAC name of 2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-1-(3-hydroxypyrrolidin-1-yl)ethanone (CID 56849174) is 2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-1-(3-hydroxypyrrolidin-1-yl)ethanone.

What is the SMILES notation for 2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-1-(3-hydroxypyrrolidin-1-yl)ethanone?

The canonical SMILES for 2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-1-(3-hydroxypyrrolidin-1-yl)ethanone is Nc1ncc(-c2ccc(C3(c4noc(-c5cnn(CC(=O)N6CCC(O)C6)c5)n4)CCC3)cc2)cn1.

What is the InChIKey of 2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-1-(3-hydroxypyrrolidin-1-yl)ethanone?

The InChIKey is OAQPTFZCFOZBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N8O3/c26-24-27-10-17(11-28-24)16-2-4-19(5-3-16)25(7-1-8-25)23-30-22(36-31-23)18-12-29-33(13-18)15-21(35)32-9-6-20(34)14-32/h2-5,10-13,20,34H,1,6-9,14-15H2,(H2,26,27,28).

What are the key properties of 2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-1-(3-hydroxypyrrolidin-1-yl)ethanone?

2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-1-(3-hydroxypyrrolidin-1-yl)ethanone has a molecular weight of 486.54 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-1-(3-hydroxypyrrolidin-1-yl)ethanone is sourced from PubChem (CID 56849174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).