4-[2-[2-(1-methylimidazol-4-yl)ethoxy]-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine

C24H27N7O2 — CID 156832043

About 4-[2-[2-(1-methylimidazol-4-yl)ethoxy]-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine

4-[2-[2-(1-methylimidazol-4-yl)ethoxy]-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine (PubChem CID 156832043) has the molecular formula C24H27N7O2 and a molecular weight of 445.53 g/mol. Its IUPAC name is 4-[2-[2-(1-methylimidazol-4-yl)ethoxy]-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine.

Molecular Properties

• Compound Name: 4-[2-[2-(1-methylimidazol-4-yl)ethoxy]-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine
• PubChem CID: 156832043
• Molecular Formula: C24H27N7O2
• Molecular Weight: 445.53 g/mol
• Exact Mass: 445.22
• IUPAC Name: 4-[2-[2-(1-methylimidazol-4-yl)ethoxy]-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine
• SMILES: Cc1cccc(-c2ccn(-c3cc(N4CCOCC4)nc(OCCc4cn(C)cn4)n3)n2)c1
• InChI: InChI=1S/C24H27N7O2/c1-18-4-3-5-19(14-18)21-6-8-31(28-21)23-15-22(30-9-12-32-13-10-30)26-24(27-23)33-11-7-20-16-29(2)17-25-20/h3-6,8,14-17H,7,9-13H2,1-2H3
• InChIKey: RCOLVQPFYOLLLO-UHFFFAOYSA-N
• XLogP: 2.83
• TPSA: 83.12 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.53
LogP ≤ 5	2.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(1-methylimidazol-4-yl)ethoxy]-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine?

The IUPAC name of 4-[2-[2-(1-methylimidazol-4-yl)ethoxy]-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine (CID 156832043) is 4-[2-[2-(1-methylimidazol-4-yl)ethoxy]-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine.

What is the SMILES notation for 4-[2-[2-(1-methylimidazol-4-yl)ethoxy]-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine?

The canonical SMILES for 4-[2-[2-(1-methylimidazol-4-yl)ethoxy]-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine is Cc1cccc(-c2ccn(-c3cc(N4CCOCC4)nc(OCCc4cn(C)cn4)n3)n2)c1.

What is the InChIKey of 4-[2-[2-(1-methylimidazol-4-yl)ethoxy]-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine?

The InChIKey is RCOLVQPFYOLLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O2/c1-18-4-3-5-19(14-18)21-6-8-31(28-21)23-15-22(30-9-12-32-13-10-30)26-24(27-23)33-11-7-20-16-29(2)17-25-20/h3-6,8,14-17H,7,9-13H2,1-2H3.

What are the key properties of 4-[2-[2-(1-methylimidazol-4-yl)ethoxy]-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine?

4-[2-[2-(1-methylimidazol-4-yl)ethoxy]-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine has a molecular weight of 445.53 g/mol, XLogP of 2.83, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[2-(1-methylimidazol-4-yl)ethoxy]-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 156832043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).