3-[2-[5-[[2-cyclopropyl-1-(5-ethoxypyrimidin-2-yl)-6-oxo-4-propylpyrimidin-5-yl]methyl]-2-pyridinyl]phenyl]-1,2,4-oxadiazolidin-5-one

C30H31N7O4 — CID 72681864

About 3-[2-[5-[[2-cyclopropyl-1-(5-ethoxypyrimidin-2-yl)-6-oxo-4-propylpyrimidin-5-yl]methyl]-2-pyridinyl]phenyl]-1,2,4-oxadiazolidin-5-one

3-[2-[5-[[2-cyclopropyl-1-(5-ethoxypyrimidin-2-yl)-6-oxo-4-propylpyrimidin-5-yl]methyl]-2-pyridinyl]phenyl]-1,2,4-oxadiazolidin-5-one (PubChem CID 72681864) has the molecular formula C30H31N7O4 and a molecular weight of 553.62 g/mol. Its IUPAC name is 3-[2-[5-[[2-cyclopropyl-1-(5-ethoxypyrimidin-2-yl)-6-oxo-4-propylpyrimidin-5-yl]methyl]-2-pyridinyl]phenyl]-1,2,4-oxadiazolidin-5-one.

Molecular Properties

• Compound Name: 3-[2-[5-[[2-cyclopropyl-1-(5-ethoxypyrimidin-2-yl)-6-oxo-4-propylpyrimidin-5-yl]methyl]-2-pyridinyl]phenyl]-1,2,4-oxadiazolidin-5-one
• PubChem CID: 72681864
• Molecular Formula: C30H31N7O4
• Molecular Weight: 553.62 g/mol
• Exact Mass: 553.24
• IUPAC Name: 3-[2-[5-[[2-cyclopropyl-1-(5-ethoxypyrimidin-2-yl)-6-oxo-4-propylpyrimidin-5-yl]methyl]-2-pyridinyl]phenyl]-1,2,4-oxadiazolidin-5-one
• SMILES: CCCc1nc(C2CC2)n(-c2ncc(OCC)cn2)c(=O)c1Cc1ccc(-c2ccccc2C2NOC(=O)N2)nc1
• InChI: InChI=1S/C30H31N7O4/c1-3-7-25-23(28(38)37(27(34-25)19-11-12-19)29-32-16-20(17-33-29)40-4-2)14-18-10-13-24(31-15-18)21-8-5-6-9-22(21)26-35-30(39)41-36-26/h5-6,8-10,13,15-17,19,26,36H,3-4,7,11-12,14H2,1-2H3,(H,35,39)
• InChIKey: QZWOQOPWPGHDHQ-UHFFFAOYSA-N
• XLogP: 4.15
• TPSA: 133.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	553.62
LogP ≤ 5	4.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 3-[2-[5-[[2-cyclopropyl-1-(5-ethoxypyrimidin-2-yl)-6-oxo-4-propylpyrimidin-5-yl]methyl]-2-pyridinyl]phenyl]-1,2,4-oxadiazolidin-5-one?

The IUPAC name of 3-[2-[5-[[2-cyclopropyl-1-(5-ethoxypyrimidin-2-yl)-6-oxo-4-propylpyrimidin-5-yl]methyl]-2-pyridinyl]phenyl]-1,2,4-oxadiazolidin-5-one (CID 72681864) is 3-[2-[5-[[2-cyclopropyl-1-(5-ethoxypyrimidin-2-yl)-6-oxo-4-propylpyrimidin-5-yl]methyl]-2-pyridinyl]phenyl]-1,2,4-oxadiazolidin-5-one.

What is the SMILES notation for 3-[2-[5-[[2-cyclopropyl-1-(5-ethoxypyrimidin-2-yl)-6-oxo-4-propylpyrimidin-5-yl]methyl]-2-pyridinyl]phenyl]-1,2,4-oxadiazolidin-5-one?

The canonical SMILES for 3-[2-[5-[[2-cyclopropyl-1-(5-ethoxypyrimidin-2-yl)-6-oxo-4-propylpyrimidin-5-yl]methyl]-2-pyridinyl]phenyl]-1,2,4-oxadiazolidin-5-one is CCCc1nc(C2CC2)n(-c2ncc(OCC)cn2)c(=O)c1Cc1ccc(-c2ccccc2C2NOC(=O)N2)nc1.

What is the InChIKey of 3-[2-[5-[[2-cyclopropyl-1-(5-ethoxypyrimidin-2-yl)-6-oxo-4-propylpyrimidin-5-yl]methyl]-2-pyridinyl]phenyl]-1,2,4-oxadiazolidin-5-one?

The InChIKey is QZWOQOPWPGHDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N7O4/c1-3-7-25-23(28(38)37(27(34-25)19-11-12-19)29-32-16-20(17-33-29)40-4-2)14-18-10-13-24(31-15-18)21-8-5-6-9-22(21)26-35-30(39)41-36-26/h5-6,8-10,13,15-17,19,26,36H,3-4,7,11-12,14H2,1-2H3,(H,35,39).

What are the key properties of 3-[2-[5-[[2-cyclopropyl-1-(5-ethoxypyrimidin-2-yl)-6-oxo-4-propylpyrimidin-5-yl]methyl]-2-pyridinyl]phenyl]-1,2,4-oxadiazolidin-5-one?

3-[2-[5-[[2-cyclopropyl-1-(5-ethoxypyrimidin-2-yl)-6-oxo-4-propylpyrimidin-5-yl]methyl]-2-pyridinyl]phenyl]-1,2,4-oxadiazolidin-5-one has a molecular weight of 553.62 g/mol, XLogP of 4.15, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[5-[[2-cyclopropyl-1-(5-ethoxypyrimidin-2-yl)-6-oxo-4-propylpyrimidin-5-yl]methyl]-2-pyridinyl]phenyl]-1,2,4-oxadiazolidin-5-one is sourced from PubChem (CID 72681864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).