1-(1-benzofuran-5-yl)-N-[(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine;1-(3-ethenylphenyl)-N-[(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine;1-(3-fluorophenyl)-N-[(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine;1-(3-methylphenyl)-N-[(7-morpholin-4-yl-2-pyrimidin-5-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine;N-[(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanimine

C120H112FN33O6 — CID 158655376

About 1-(1-benzofuran-5-yl)-N-[(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine;1-(3-ethenylphenyl)-N-[(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine;1-(3-fluorophenyl)-N-[(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine;1-(3-methylphenyl)-N-[(7-morpholin-4-yl-2-pyrimidin-5-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine;N-[(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanimine

1-(1-benzofuran-5-yl)-N-[(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine;1-(3-ethenylphenyl)-N-[(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine;1-(3-fluorophenyl)-N-[(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine;1-(3-methylphenyl)-N-[(7-morpholin-4-yl-2-pyrimidin-5-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine;N-[(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanimine (PubChem CID 158655376) has the molecular formula C120H112FN33O6 and a molecular weight of 2131.44 g/mol. Its IUPAC name is 1-(1-benzofuran-5-yl)-N-[(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine;1-(3-ethenylphenyl)-N-[(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine;1-(3-fluorophenyl)-N-[(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine;1-(3-methylphenyl)-N-[(7-morpholin-4-yl-2-pyrimidin-5-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine;N-[(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanimine.

Molecular Properties

• Compound Name: 1-(1-benzofuran-5-yl)-N-[(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine;1-(3-ethenylphenyl)-N-[(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine;1-(3-fluorophenyl)-N-[(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine;1-(3-methylphenyl)-N-[(7-morpholin-4-yl-2-pyrimidin-5-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine;N-[(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanimine
• PubChem CID: 158655376
• Molecular Formula: C120H112FN33O6
• Molecular Weight: 2131.44 g/mol
• Exact Mass: 2129.95
• IUPAC Name: 1-(1-benzofuran-5-yl)-N-[(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine;1-(3-ethenylphenyl)-N-[(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine;1-(3-fluorophenyl)-N-[(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine;1-(3-methylphenyl)-N-[(7-morpholin-4-yl-2-pyrimidin-5-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine;N-[(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanimine
• SMILES: C(=N/Cc1cc(N2CCOCC2)n2nc(-c3ccncc3)cc2n1)\c1c[nH]c2ncccc12.C(=N/Cc1cc(N2CCOCC2)n2nc(-c3ccncc3)cc2n1)\c1ccc2occc2c1.C=Cc1cccc(/C=N/Cc2cc(N3CCOCC3)n3nc(-c4ccncc4)cc3n2)c1.Cc1cccc(/C=N/Cc2cc(N3CCOCC3)n3nc(-c4cncnc4)cc3n2)c1.Fc1cccc(/C=N/Cc2cc(N3CCOCC3)n3nc(-c4ccncc4)cc3n2)c1
• InChI: InChI=1S/C25H22N6O2.C25H24N6O.C24H22N8O.C23H21FN6O.C23H23N7O/c1-2-23-20(5-10-33-23)13-18(1)16-27-17-21-14-25(30-8-11-32-12-9-30)31-24(28-21)15-22(29-31)19-3-6-26-7-4-19;1-2-19-4-3-5-20(14-19)17-27-18-22-15-25(30-10-12-32-13-11-30)31-24(28-22)16-23(29-31)21-6-8-26-9-7-21;1-2-20-18(15-28-24(20)27-5-1)14-26-16-19-12-23(31-8-10-33-11-9-31)32-22(29-19)13-21(30-32)17-3-6-25-7-4-17;24-19-3-1-2-17(12-19)15-26-16-20-13-23(29-8-10-31-11-9-29)30-22(27-20)14-21(28-30)18-4-6-25-7-5-18;1-17-3-2-4-18(9-17)12-24-15-20-10-23(29-5-7-31-8-6-29)30-22(27-20)11-21(28-30)19-13-25-16-26-14-19/h1-7,10,13-16H,8-9,11-12,17H2;2-9,14-17H,1,10-13,18H2;1-7,12-15H,8-11,16H2,(H,27,28);1-7,12-15H,8-11,16H2;2-4,9-14,16H,5-8,15H2,1H3/b27-16+;27-17+;26-14+;26-15+;24-12+
• InChIKey: ICBIWRKPKSJRDK-XBXRRQSDSA-N
• XLogP: 17.34
• TPSA: 394.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 38
• Rotatable Bonds: 26
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2131.44
LogP ≤ 5	17.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-5-yl)-N-[(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine;1-(3-ethenylphenyl)-N-[(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine;1-(3-fluorophenyl)-N-[(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine;1-(3-methylphenyl)-N-[(7-morpholin-4-yl-2-pyrimidin-5-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine;N-[(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanimine?

The IUPAC name of 1-(1-benzofuran-5-yl)-N-[(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine;1-(3-ethenylphenyl)-N-[(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine;1-(3-fluorophenyl)-N-[(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine;1-(3-methylphenyl)-N-[(7-morpholin-4-yl-2-pyrimidin-5-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine;N-[(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanimine (CID 158655376) is 1-(1-benzofuran-5-yl)-N-[(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine;1-(3-ethenylphenyl)-N-[(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine;1-(3-fluorophenyl)-N-[(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine;1-(3-methylphenyl)-N-[(7-morpholin-4-yl-2-pyrimidin-5-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine;N-[(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanimine.

What is the SMILES notation for 1-(1-benzofuran-5-yl)-N-[(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine;1-(3-ethenylphenyl)-N-[(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine;1-(3-fluorophenyl)-N-[(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine;1-(3-methylphenyl)-N-[(7-morpholin-4-yl-2-pyrimidin-5-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine;N-[(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanimine?

The canonical SMILES for 1-(1-benzofuran-5-yl)-N-[(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine;1-(3-ethenylphenyl)-N-[(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine;1-(3-fluorophenyl)-N-[(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine;1-(3-methylphenyl)-N-[(7-morpholin-4-yl-2-pyrimidin-5-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine;N-[(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanimine is C(=N/Cc1cc(N2CCOCC2)n2nc(-c3ccncc3)cc2n1)\c1c[nH]c2ncccc12.C(=N/Cc1cc(N2CCOCC2)n2nc(-c3ccncc3)cc2n1)\c1ccc2occc2c1.C=Cc1cccc(/C=N/Cc2cc(N3CCOCC3)n3nc(-c4ccncc4)cc3n2)c1.Cc1cccc(/C=N/Cc2cc(N3CCOCC3)n3nc(-c4cncnc4)cc3n2)c1.Fc1cccc(/C=N/Cc2cc(N3CCOCC3)n3nc(-c4ccncc4)cc3n2)c1.

What is the InChIKey of 1-(1-benzofuran-5-yl)-N-[(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine;1-(3-ethenylphenyl)-N-[(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine;1-(3-fluorophenyl)-N-[(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine;1-(3-methylphenyl)-N-[(7-morpholin-4-yl-2-pyrimidin-5-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine;N-[(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanimine?

The InChIKey is ICBIWRKPKSJRDK-XBXRRQSDSA-N. The full InChI is InChI=1S/C25H22N6O2.C25H24N6O.C24H22N8O.C23H21FN6O.C23H23N7O/c1-2-23-20(5-10-33-23)13-18(1)16-27-17-21-14-25(30-8-11-32-12-9-30)31-24(28-21)15-22(29-31)19-3-6-26-7-4-19;1-2-19-4-3-5-20(14-19)17-27-18-22-15-25(30-10-12-32-13-11-30)31-24(28-22)16-23(29-31)21-6-8-26-9-7-21;1-2-20-18(15-28-24(20)27-5-1)14-26-16-19-12-23(31-8-10-33-11-9-31)32-22(29-19)13-21(30-32)17-3-6-25-7-4-17;24-19-3-1-2-17(12-19)15-26-16-20-13-23(29-8-10-31-11-9-29)30-22(27-20)14-21(28-30)18-4-6-25-7-5-18;1-17-3-2-4-18(9-17)12-24-15-20-10-23(29-5-7-31-8-6-29)30-22(27-20)11-21(28-30)19-13-25-16-26-14-19/h1-7,10,13-16H,8-9,11-12,17H2;2-9,14-17H,1,10-13,18H2;1-7,12-15H,8-11,16H2,(H,27,28);1-7,12-15H,8-11,16H2;2-4,9-14,16H,5-8,15H2,1H3/b27-16+;27-17+;26-14+;26-15+;24-12+.

What are the key properties of 1-(1-benzofuran-5-yl)-N-[(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine;1-(3-ethenylphenyl)-N-[(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine;1-(3-fluorophenyl)-N-[(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine;1-(3-methylphenyl)-N-[(7-morpholin-4-yl-2-pyrimidin-5-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine;N-[(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanimine?

1-(1-benzofuran-5-yl)-N-[(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine;1-(3-ethenylphenyl)-N-[(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine;1-(3-fluorophenyl)-N-[(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine;1-(3-methylphenyl)-N-[(7-morpholin-4-yl-2-pyrimidin-5-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine;N-[(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanimine has a molecular weight of 2131.44 g/mol, XLogP of 17.34, 26 rotatable bonds, 1 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1-benzofuran-5-yl)-N-[(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine;1-(3-ethenylphenyl)-N-[(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine;1-(3-fluorophenyl)-N-[(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine;1-(3-methylphenyl)-N-[(7-morpholin-4-yl-2-pyrimidin-5-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine;N-[(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanimine is sourced from PubChem (CID 158655376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).