4-[1-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-2-phenyl-2-pyrazin-2-yl-6-(1H-pyrazol-5-yl)-4-pyridazin-3-yl-4H-pyrimidin-3-yl]morpholine

C31H28N12O2 — CID 141219818

About 4-[1-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-2-phenyl-2-pyrazin-2-yl-6-(1H-pyrazol-5-yl)-4-pyridazin-3-yl-4H-pyrimidin-3-yl]morpholine

4-[1-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-2-phenyl-2-pyrazin-2-yl-6-(1H-pyrazol-5-yl)-4-pyridazin-3-yl-4H-pyrimidin-3-yl]morpholine (PubChem CID 141219818) has the molecular formula C31H28N12O2 and a molecular weight of 600.65 g/mol. Its IUPAC name is 4-[1-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-2-phenyl-2-pyrazin-2-yl-6-(1H-pyrazol-5-yl)-4-pyridazin-3-yl-4H-pyrimidin-3-yl]morpholine.

Molecular Properties

• Compound Name: 4-[1-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-2-phenyl-2-pyrazin-2-yl-6-(1H-pyrazol-5-yl)-4-pyridazin-3-yl-4H-pyrimidin-3-yl]morpholine
• PubChem CID: 141219818
• Molecular Formula: C31H28N12O2
• Molecular Weight: 600.65 g/mol
• Exact Mass: 600.25
• IUPAC Name: 4-[1-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-2-phenyl-2-pyrazin-2-yl-6-(1H-pyrazol-5-yl)-4-pyridazin-3-yl-4H-pyrimidin-3-yl]morpholine
• SMILES: c1ccc(C2(c3cnccn3)N(c3ncc[nH]3)C(c3ccn[nH]3)=C(c3ccon3)C(c3cccnn3)N2N2CCOCC2)cc1
• InChI: InChI=1S/C31H28N12O2/c1-2-5-22(6-3-1)31(26-21-32-12-13-33-26)42(30-34-14-15-35-30)28(25-8-11-37-39-25)27(23-9-18-45-40-23)29(24-7-4-10-36-38-24)43(31)41-16-19-44-20-17-41/h1-15,18,21,29H,16-17,19-20H2,(H,34,35)(H,37,39)
• InChIKey: KKXBLICIMGBVEP-UHFFFAOYSA-N
• XLogP: 3.28
• TPSA: 153.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 7
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	600.65
LogP ≤ 5	3.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 4-[1-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-2-phenyl-2-pyrazin-2-yl-6-(1H-pyrazol-5-yl)-4-pyridazin-3-yl-4H-pyrimidin-3-yl]morpholine?

The IUPAC name of 4-[1-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-2-phenyl-2-pyrazin-2-yl-6-(1H-pyrazol-5-yl)-4-pyridazin-3-yl-4H-pyrimidin-3-yl]morpholine (CID 141219818) is 4-[1-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-2-phenyl-2-pyrazin-2-yl-6-(1H-pyrazol-5-yl)-4-pyridazin-3-yl-4H-pyrimidin-3-yl]morpholine.

What is the SMILES notation for 4-[1-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-2-phenyl-2-pyrazin-2-yl-6-(1H-pyrazol-5-yl)-4-pyridazin-3-yl-4H-pyrimidin-3-yl]morpholine?

The canonical SMILES for 4-[1-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-2-phenyl-2-pyrazin-2-yl-6-(1H-pyrazol-5-yl)-4-pyridazin-3-yl-4H-pyrimidin-3-yl]morpholine is c1ccc(C2(c3cnccn3)N(c3ncc[nH]3)C(c3ccn[nH]3)=C(c3ccon3)C(c3cccnn3)N2N2CCOCC2)cc1.

What is the InChIKey of 4-[1-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-2-phenyl-2-pyrazin-2-yl-6-(1H-pyrazol-5-yl)-4-pyridazin-3-yl-4H-pyrimidin-3-yl]morpholine?

The InChIKey is KKXBLICIMGBVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28N12O2/c1-2-5-22(6-3-1)31(26-21-32-12-13-33-26)42(30-34-14-15-35-30)28(25-8-11-37-39-25)27(23-9-18-45-40-23)29(24-7-4-10-36-38-24)43(31)41-16-19-44-20-17-41/h1-15,18,21,29H,16-17,19-20H2,(H,34,35)(H,37,39).

What are the key properties of 4-[1-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-2-phenyl-2-pyrazin-2-yl-6-(1H-pyrazol-5-yl)-4-pyridazin-3-yl-4H-pyrimidin-3-yl]morpholine?

4-[1-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-2-phenyl-2-pyrazin-2-yl-6-(1H-pyrazol-5-yl)-4-pyridazin-3-yl-4H-pyrimidin-3-yl]morpholine has a molecular weight of 600.65 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-(1H-imidazol-2-yl)-5-(1,2-oxazol-3-yl)-2-phenyl-2-pyrazin-2-yl-6-(1H-pyrazol-5-yl)-4-pyridazin-3-yl-4H-pyrimidin-3-yl]morpholine is sourced from PubChem (CID 141219818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).