3-[4-(furan-2-yl)-1-(1H-imidazol-2-yl)-1-pyrazin-2-yl-2-(1H-pyrazol-5-yl)-1-pyridazin-3-yl-1-pyridin-2-yl-5-pyrimidin-2-yl-3H-1,3-thiazol-2-yl]-1,2-oxazole

C33H25N13O2S — CID 141212963

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

3-[4-(furan-2-yl)-1-(1H-imidazol-2-yl)-1-pyrazin-2-yl-2-(1H-pyrazol-5-yl)-1-pyridazin-3-yl-1-pyridin-2-yl-5-pyrimidin-2-yl-3H-1,3-thiazol-2-yl]-1,2-oxazole (PubChem CID 141212963) has the molecular formula C33H25N13O2S and a molecular weight of 667.72 g/mol. Its IUPAC name is 3-[4-(furan-2-yl)-1-(1H-imidazol-2-yl)-1-pyrazin-2-yl-2-(1H-pyrazol-5-yl)-1-pyridazin-3-yl-1-pyridin-2-yl-5-pyrimidin-2-yl-3H-1,3-thiazol-2-yl]-1,2-oxazole.

Molecular Properties

• Compound Name: 3-[4-(furan-2-yl)-1-(1H-imidazol-2-yl)-1-pyrazin-2-yl-2-(1H-pyrazol-5-yl)-1-pyridazin-3-yl-1-pyridin-2-yl-5-pyrimidin-2-yl-3H-1,3-thiazol-2-yl]-1,2-oxazole
• PubChem CID: 141212963
• Molecular Formula: C33H25N13O2S
• Molecular Weight: 667.72 g/mol
• Exact Mass: 667.20
• IUPAC Name: 3-[4-(furan-2-yl)-1-(1H-imidazol-2-yl)-1-pyrazin-2-yl-2-(1H-pyrazol-5-yl)-1-pyridazin-3-yl-1-pyridin-2-yl-5-pyrimidin-2-yl-3H-1,3-thiazol-2-yl]-1,2-oxazole
• SMILES: c1ccc(S2(c3cnccn3)(c3cccnn3)(c3ncc[nH]3)C(c3ncccn3)=C(c3ccco3)NC2(c2ccon2)c2ccn[nH]2)nc1
• InChI: InChI=1S/C33H25N13O2S/c1-2-11-35-26(7-1)49(32-39-18-19-40-32,27-8-3-14-41-45-27,28-22-34-16-17-36-28)30(31-37-12-5-13-38-31)29(23-6-4-20-47-23)43-33(49,24-9-15-42-44-24)25-10-21-48-46-25/h1-22,43H,(H,39,40)(H,42,44)
• InChIKey: RNUMBGIZBRXMRL-UHFFFAOYSA-N
• XLogP: 4.92
• TPSA: 198.79 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 8
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	667.72
LogP ≤ 5	4.92
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

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

The IUPAC name of 3-[4-(furan-2-yl)-1-(1H-imidazol-2-yl)-1-pyrazin-2-yl-2-(1H-pyrazol-5-yl)-1-pyridazin-3-yl-1-pyridin-2-yl-5-pyrimidin-2-yl-3H-1,3-thiazol-2-yl]-1,2-oxazole (CID 141212963) is 3-[4-(furan-2-yl)-1-(1H-imidazol-2-yl)-1-pyrazin-2-yl-2-(1H-pyrazol-5-yl)-1-pyridazin-3-yl-1-pyridin-2-yl-5-pyrimidin-2-yl-3H-1,3-thiazol-2-yl]-1,2-oxazole.

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

The canonical SMILES for 3-[4-(furan-2-yl)-1-(1H-imidazol-2-yl)-1-pyrazin-2-yl-2-(1H-pyrazol-5-yl)-1-pyridazin-3-yl-1-pyridin-2-yl-5-pyrimidin-2-yl-3H-1,3-thiazol-2-yl]-1,2-oxazole is c1ccc(S2(c3cnccn3)(c3cccnn3)(c3ncc[nH]3)C(c3ncccn3)=C(c3ccco3)NC2(c2ccon2)c2ccn[nH]2)nc1.

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

The InChIKey is RNUMBGIZBRXMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25N13O2S/c1-2-11-35-26(7-1)49(32-39-18-19-40-32,27-8-3-14-41-45-27,28-22-34-16-17-36-28)30(31-37-12-5-13-38-31)29(23-6-4-20-47-23)43-33(49,24-9-15-42-44-24)25-10-21-48-46-25/h1-22,43H,(H,39,40)(H,42,44).

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

3-[4-(furan-2-yl)-1-(1H-imidazol-2-yl)-1-pyrazin-2-yl-2-(1H-pyrazol-5-yl)-1-pyridazin-3-yl-1-pyridin-2-yl-5-pyrimidin-2-yl-3H-1,3-thiazol-2-yl]-1,2-oxazole has a molecular weight of 667.72 g/mol, XLogP of 4.92, 8 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(furan-2-yl)-1-(1H-imidazol-2-yl)-1-pyrazin-2-yl-2-(1H-pyrazol-5-yl)-1-pyridazin-3-yl-1-pyridin-2-yl-5-pyrimidin-2-yl-3H-1,3-thiazol-2-yl]-1,2-oxazole is sourced from PubChem (CID 141212963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).