4-pyrazin-2-yl-3-[4-(1H-pyrazol-5-yl)-1,3-oxazol-2-yl]-2-pyridazin-3-yl-5-pyridin-2-yl-3-pyrimidin-2-yl-4-(1,3-thiazol-2-yl)-1,2,5-oxadiazolidine

C28H19N13O2S — CID 141018478

About 4-pyrazin-2-yl-3-[4-(1H-pyrazol-5-yl)-1,3-oxazol-2-yl]-2-pyridazin-3-yl-5-pyridin-2-yl-3-pyrimidin-2-yl-4-(1,3-thiazol-2-yl)-1,2,5-oxadiazolidine

4-pyrazin-2-yl-3-[4-(1H-pyrazol-5-yl)-1,3-oxazol-2-yl]-2-pyridazin-3-yl-5-pyridin-2-yl-3-pyrimidin-2-yl-4-(1,3-thiazol-2-yl)-1,2,5-oxadiazolidine (PubChem CID 141018478) has the molecular formula C28H19N13O2S and a molecular weight of 601.62 g/mol. Its IUPAC name is 4-pyrazin-2-yl-3-[4-(1H-pyrazol-5-yl)-1,3-oxazol-2-yl]-2-pyridazin-3-yl-5-pyridin-2-yl-3-pyrimidin-2-yl-4-(1,3-thiazol-2-yl)-1,2,5-oxadiazolidine.

Molecular Properties

• Compound Name: 4-pyrazin-2-yl-3-[4-(1H-pyrazol-5-yl)-1,3-oxazol-2-yl]-2-pyridazin-3-yl-5-pyridin-2-yl-3-pyrimidin-2-yl-4-(1,3-thiazol-2-yl)-1,2,5-oxadiazolidine
• PubChem CID: 141018478
• Molecular Formula: C28H19N13O2S
• Molecular Weight: 601.62 g/mol
• Exact Mass: 601.15
• IUPAC Name: 4-pyrazin-2-yl-3-[4-(1H-pyrazol-5-yl)-1,3-oxazol-2-yl]-2-pyridazin-3-yl-5-pyridin-2-yl-3-pyrimidin-2-yl-4-(1,3-thiazol-2-yl)-1,2,5-oxadiazolidine
• SMILES: c1ccc(N2ON(c3cccnn3)C(c3ncccn3)(c3nc(-c4ccn[nH]4)co3)C2(c2cnccn2)c2nccs2)nc1
• InChI: InChI=1S/C28H19N13O2S/c1-2-8-31-22(5-1)40-27(26-34-15-16-44-26,21-17-29-13-14-30-21)28(24-32-9-4-10-33-24,41(43-40)23-6-3-11-35-39-23)25-37-20(18-42-25)19-7-12-36-38-19/h1-18H,(H,36,38)
• InChIKey: ZWALUNSUVRGSMT-UHFFFAOYSA-N
• XLogP: 3.35
• TPSA: 173.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 15
• Rotatable Bonds: 7
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	601.62
LogP ≤ 5	3.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 4-pyrazin-2-yl-3-[4-(1H-pyrazol-5-yl)-1,3-oxazol-2-yl]-2-pyridazin-3-yl-5-pyridin-2-yl-3-pyrimidin-2-yl-4-(1,3-thiazol-2-yl)-1,2,5-oxadiazolidine?

The IUPAC name of 4-pyrazin-2-yl-3-[4-(1H-pyrazol-5-yl)-1,3-oxazol-2-yl]-2-pyridazin-3-yl-5-pyridin-2-yl-3-pyrimidin-2-yl-4-(1,3-thiazol-2-yl)-1,2,5-oxadiazolidine (CID 141018478) is 4-pyrazin-2-yl-3-[4-(1H-pyrazol-5-yl)-1,3-oxazol-2-yl]-2-pyridazin-3-yl-5-pyridin-2-yl-3-pyrimidin-2-yl-4-(1,3-thiazol-2-yl)-1,2,5-oxadiazolidine.

What is the SMILES notation for 4-pyrazin-2-yl-3-[4-(1H-pyrazol-5-yl)-1,3-oxazol-2-yl]-2-pyridazin-3-yl-5-pyridin-2-yl-3-pyrimidin-2-yl-4-(1,3-thiazol-2-yl)-1,2,5-oxadiazolidine?

The canonical SMILES for 4-pyrazin-2-yl-3-[4-(1H-pyrazol-5-yl)-1,3-oxazol-2-yl]-2-pyridazin-3-yl-5-pyridin-2-yl-3-pyrimidin-2-yl-4-(1,3-thiazol-2-yl)-1,2,5-oxadiazolidine is c1ccc(N2ON(c3cccnn3)C(c3ncccn3)(c3nc(-c4ccn[nH]4)co3)C2(c2cnccn2)c2nccs2)nc1.

What is the InChIKey of 4-pyrazin-2-yl-3-[4-(1H-pyrazol-5-yl)-1,3-oxazol-2-yl]-2-pyridazin-3-yl-5-pyridin-2-yl-3-pyrimidin-2-yl-4-(1,3-thiazol-2-yl)-1,2,5-oxadiazolidine?

The InChIKey is ZWALUNSUVRGSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19N13O2S/c1-2-8-31-22(5-1)40-27(26-34-15-16-44-26,21-17-29-13-14-30-21)28(24-32-9-4-10-33-24,41(43-40)23-6-3-11-35-39-23)25-37-20(18-42-25)19-7-12-36-38-19/h1-18H,(H,36,38).

What are the key properties of 4-pyrazin-2-yl-3-[4-(1H-pyrazol-5-yl)-1,3-oxazol-2-yl]-2-pyridazin-3-yl-5-pyridin-2-yl-3-pyrimidin-2-yl-4-(1,3-thiazol-2-yl)-1,2,5-oxadiazolidine?

4-pyrazin-2-yl-3-[4-(1H-pyrazol-5-yl)-1,3-oxazol-2-yl]-2-pyridazin-3-yl-5-pyridin-2-yl-3-pyrimidin-2-yl-4-(1,3-thiazol-2-yl)-1,2,5-oxadiazolidine has a molecular weight of 601.62 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 4-pyrazin-2-yl-3-[4-(1H-pyrazol-5-yl)-1,3-oxazol-2-yl]-2-pyridazin-3-yl-5-pyridin-2-yl-3-pyrimidin-2-yl-4-(1,3-thiazol-2-yl)-1,2,5-oxadiazolidine is sourced from PubChem (CID 141018478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).