1-(3-methylphenyl)-N-[[2-(4-methylphenyl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl]methyl]methanimine

C26H27N5O — CID 58531081

About 1-(3-methylphenyl)-N-[[2-(4-methylphenyl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl]methyl]methanimine

1-(3-methylphenyl)-N-[[2-(4-methylphenyl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl]methyl]methanimine (PubChem CID 58531081) has the molecular formula C26H27N5O and a molecular weight of 425.54 g/mol. Its IUPAC name is 1-(3-methylphenyl)-N-[[2-(4-methylphenyl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl]methyl]methanimine.

Molecular Properties

• Compound Name: 1-(3-methylphenyl)-N-[[2-(4-methylphenyl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl]methyl]methanimine
• PubChem CID: 58531081
• Molecular Formula: C26H27N5O
• Molecular Weight: 425.54 g/mol
• Exact Mass: 425.22
• IUPAC Name: 1-(3-methylphenyl)-N-[[2-(4-methylphenyl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl]methyl]methanimine
• SMILES: Cc1ccc(-c2cc3nc(C/N=C/c4cccc(C)c4)cc(N4CCOCC4)n3n2)cc1
• InChI: InChI=1S/C26H27N5O/c1-19-6-8-22(9-7-19)24-16-25-28-23(18-27-17-21-5-3-4-20(2)14-21)15-26(31(25)29-24)30-10-12-32-13-11-30/h3-9,14-17H,10-13,18H2,1-2H3/b27-17+
• InChIKey: ZYWHECIZMXFTTC-WPWMEQJKSA-N
• XLogP: 4.47
• TPSA: 55.02 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	425.54
LogP ≤ 5	4.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-N-[[2-(4-methylphenyl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl]methyl]methanimine?

The IUPAC name of 1-(3-methylphenyl)-N-[[2-(4-methylphenyl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl]methyl]methanimine (CID 58531081) is 1-(3-methylphenyl)-N-[[2-(4-methylphenyl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl]methyl]methanimine.

What is the SMILES notation for 1-(3-methylphenyl)-N-[[2-(4-methylphenyl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl]methyl]methanimine?

The canonical SMILES for 1-(3-methylphenyl)-N-[[2-(4-methylphenyl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl]methyl]methanimine is Cc1ccc(-c2cc3nc(C/N=C/c4cccc(C)c4)cc(N4CCOCC4)n3n2)cc1.

What is the InChIKey of 1-(3-methylphenyl)-N-[[2-(4-methylphenyl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl]methyl]methanimine?

The InChIKey is ZYWHECIZMXFTTC-WPWMEQJKSA-N. The full InChI is InChI=1S/C26H27N5O/c1-19-6-8-22(9-7-19)24-16-25-28-23(18-27-17-21-5-3-4-20(2)14-21)15-26(31(25)29-24)30-10-12-32-13-11-30/h3-9,14-17H,10-13,18H2,1-2H3/b27-17+.

What are the key properties of 1-(3-methylphenyl)-N-[[2-(4-methylphenyl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl]methyl]methanimine?

1-(3-methylphenyl)-N-[[2-(4-methylphenyl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl]methyl]methanimine has a molecular weight of 425.54 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-methylphenyl)-N-[[2-(4-methylphenyl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl]methyl]methanimine is sourced from PubChem (CID 58531081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).