N,N-diethyl-4-[5-[[(3-methylphenyl)methylideneamino]methyl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]aniline;N-(2-methoxyethyl)-4-[5-[[(3-methylphenyl)methylideneamino]methyl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]aniline;1-[4-[4-[5-[[(3-methylphenyl)methylideneamino]methyl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]phenyl]piperazin-1-yl]ethanone;1-(3-methylphenyl)-N-[[7-morpholin-4-yl-2-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]methyl]methanimine

C117H134N26O6 — CID 160740409

About N,N-diethyl-4-[5-[[(3-methylphenyl)methylideneamino]methyl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]aniline;N-(2-methoxyethyl)-4-[5-[[(3-methylphenyl)methylideneamino]methyl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]aniline;1-[4-[4-[5-[[(3-methylphenyl)methylideneamino]methyl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]phenyl]piperazin-1-yl]ethanone;1-(3-methylphenyl)-N-[[7-morpholin-4-yl-2-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]methyl]methanimine

N,N-diethyl-4-[5-[[(3-methylphenyl)methylideneamino]methyl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]aniline;N-(2-methoxyethyl)-4-[5-[[(3-methylphenyl)methylideneamino]methyl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]aniline;1-[4-[4-[5-[[(3-methylphenyl)methylideneamino]methyl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]phenyl]piperazin-1-yl]ethanone;1-(3-methylphenyl)-N-[[7-morpholin-4-yl-2-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]methyl]methanimine (PubChem CID 160740409) has the molecular formula C117H134N26O6 and a molecular weight of 2000.53 g/mol. Its IUPAC name is N,N-diethyl-4-[5-[[(3-methylphenyl)methylideneamino]methyl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]aniline;N-(2-methoxyethyl)-4-[5-[[(3-methylphenyl)methylideneamino]methyl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]aniline;1-[4-[4-[5-[[(3-methylphenyl)methylideneamino]methyl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]phenyl]piperazin-1-yl]ethanone;1-(3-methylphenyl)-N-[[7-morpholin-4-yl-2-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]methyl]methanimine.

Molecular Properties

• Compound Name: N,N-diethyl-4-[5-[[(3-methylphenyl)methylideneamino]methyl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]aniline;N-(2-methoxyethyl)-4-[5-[[(3-methylphenyl)methylideneamino]methyl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]aniline;1-[4-[4-[5-[[(3-methylphenyl)methylideneamino]methyl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]phenyl]piperazin-1-yl]ethanone;1-(3-methylphenyl)-N-[[7-morpholin-4-yl-2-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]methyl]methanimine
• PubChem CID: 160740409
• Molecular Formula: C117H134N26O6
• Molecular Weight: 2000.53 g/mol
• Exact Mass: 1999.10
• IUPAC Name: N,N-diethyl-4-[5-[[(3-methylphenyl)methylideneamino]methyl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]aniline;N-(2-methoxyethyl)-4-[5-[[(3-methylphenyl)methylideneamino]methyl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]aniline;1-[4-[4-[5-[[(3-methylphenyl)methylideneamino]methyl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]phenyl]piperazin-1-yl]ethanone;1-(3-methylphenyl)-N-[[7-morpholin-4-yl-2-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]methyl]methanimine
• SMILES: CC(=O)N1CCN(c2ccc(-c3cc4nc(C/N=C/c5cccc(C)c5)cc(N5CCOCC5)n4n3)cc2)CC1.CCN(CC)c1ccc(-c2cc3nc(C/N=C/c4cccc(C)c4)cc(N4CCOCC4)n3n2)cc1.COCCNc1ccc(-c2cc3nc(C/N=C/c4cccc(C)c4)cc(N4CCOCC4)n3n2)cc1.Cc1cccc(/C=N/Cc2cc(N3CCOCC3)n3nc(-c4ccc(N5CCNCC5)cc4)cc3n2)c1
• InChI: InChI=1S/C31H35N7O2.C29H33N7O.C29H34N6O.C28H32N6O2/c1-23-4-3-5-25(18-23)21-32-22-27-19-31(37-14-16-40-17-15-37)38-30(33-27)20-29(34-38)26-6-8-28(9-7-26)36-12-10-35(11-13-36)24(2)39;1-22-3-2-4-23(17-22)20-31-21-25-18-29(35-13-15-37-16-14-35)36-28(32-25)19-27(33-36)24-5-7-26(8-6-24)34-11-9-30-10-12-34;1-4-33(5-2)26-11-9-24(10-12-26)27-19-28-31-25(21-30-20-23-8-6-7-22(3)17-23)18-29(35(28)32-27)34-13-15-36-16-14-34;1-21-4-3-5-22(16-21)19-29-20-25-17-28(33-11-14-36-15-12-33)34-27(31-25)18-26(32-34)23-6-8-24(9-7-23)30-10-13-35-2/h3-9,18-21H,10-17,22H2,1-2H3;2-8,17-20,30H,9-16,21H2,1H3;6-12,17-20H,4-5,13-16,21H2,1-3H3;3-9,16-19,30H,10-15,20H2,1-2H3/b32-21+;31-20+;30-20+;29-19+
• InChIKey: RVMQYVLPQLNCHL-QFKWSTPLSA-N
• XLogP: 16.62
• TPSA: 283.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 31
• Rotatable Bonds: 29
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2000.53
LogP ≤ 5	16.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[5-[[(3-methylphenyl)methylideneamino]methyl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]aniline;N-(2-methoxyethyl)-4-[5-[[(3-methylphenyl)methylideneamino]methyl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]aniline;1-[4-[4-[5-[[(3-methylphenyl)methylideneamino]methyl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]phenyl]piperazin-1-yl]ethanone;1-(3-methylphenyl)-N-[[7-morpholin-4-yl-2-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]methyl]methanimine?

The IUPAC name of N,N-diethyl-4-[5-[[(3-methylphenyl)methylideneamino]methyl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]aniline;N-(2-methoxyethyl)-4-[5-[[(3-methylphenyl)methylideneamino]methyl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]aniline;1-[4-[4-[5-[[(3-methylphenyl)methylideneamino]methyl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]phenyl]piperazin-1-yl]ethanone;1-(3-methylphenyl)-N-[[7-morpholin-4-yl-2-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]methyl]methanimine (CID 160740409) is N,N-diethyl-4-[5-[[(3-methylphenyl)methylideneamino]methyl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]aniline;N-(2-methoxyethyl)-4-[5-[[(3-methylphenyl)methylideneamino]methyl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]aniline;1-[4-[4-[5-[[(3-methylphenyl)methylideneamino]methyl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]phenyl]piperazin-1-yl]ethanone;1-(3-methylphenyl)-N-[[7-morpholin-4-yl-2-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]methyl]methanimine.

What is the SMILES notation for N,N-diethyl-4-[5-[[(3-methylphenyl)methylideneamino]methyl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]aniline;N-(2-methoxyethyl)-4-[5-[[(3-methylphenyl)methylideneamino]methyl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]aniline;1-[4-[4-[5-[[(3-methylphenyl)methylideneamino]methyl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]phenyl]piperazin-1-yl]ethanone;1-(3-methylphenyl)-N-[[7-morpholin-4-yl-2-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]methyl]methanimine?

The canonical SMILES for N,N-diethyl-4-[5-[[(3-methylphenyl)methylideneamino]methyl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]aniline;N-(2-methoxyethyl)-4-[5-[[(3-methylphenyl)methylideneamino]methyl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]aniline;1-[4-[4-[5-[[(3-methylphenyl)methylideneamino]methyl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]phenyl]piperazin-1-yl]ethanone;1-(3-methylphenyl)-N-[[7-morpholin-4-yl-2-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]methyl]methanimine is CC(=O)N1CCN(c2ccc(-c3cc4nc(C/N=C/c5cccc(C)c5)cc(N5CCOCC5)n4n3)cc2)CC1.CCN(CC)c1ccc(-c2cc3nc(C/N=C/c4cccc(C)c4)cc(N4CCOCC4)n3n2)cc1.COCCNc1ccc(-c2cc3nc(C/N=C/c4cccc(C)c4)cc(N4CCOCC4)n3n2)cc1.Cc1cccc(/C=N/Cc2cc(N3CCOCC3)n3nc(-c4ccc(N5CCNCC5)cc4)cc3n2)c1.

What is the InChIKey of N,N-diethyl-4-[5-[[(3-methylphenyl)methylideneamino]methyl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]aniline;N-(2-methoxyethyl)-4-[5-[[(3-methylphenyl)methylideneamino]methyl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]aniline;1-[4-[4-[5-[[(3-methylphenyl)methylideneamino]methyl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]phenyl]piperazin-1-yl]ethanone;1-(3-methylphenyl)-N-[[7-morpholin-4-yl-2-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]methyl]methanimine?

The InChIKey is RVMQYVLPQLNCHL-QFKWSTPLSA-N. The full InChI is InChI=1S/C31H35N7O2.C29H33N7O.C29H34N6O.C28H32N6O2/c1-23-4-3-5-25(18-23)21-32-22-27-19-31(37-14-16-40-17-15-37)38-30(33-27)20-29(34-38)26-6-8-28(9-7-26)36-12-10-35(11-13-36)24(2)39;1-22-3-2-4-23(17-22)20-31-21-25-18-29(35-13-15-37-16-14-35)36-28(32-25)19-27(33-36)24-5-7-26(8-6-24)34-11-9-30-10-12-34;1-4-33(5-2)26-11-9-24(10-12-26)27-19-28-31-25(21-30-20-23-8-6-7-22(3)17-23)18-29(35(28)32-27)34-13-15-36-16-14-34;1-21-4-3-5-22(16-21)19-29-20-25-17-28(33-11-14-36-15-12-33)34-27(31-25)18-26(32-34)23-6-8-24(9-7-23)30-10-13-35-2/h3-9,18-21H,10-17,22H2,1-2H3;2-8,17-20,30H,9-16,21H2,1H3;6-12,17-20H,4-5,13-16,21H2,1-3H3;3-9,16-19,30H,10-15,20H2,1-2H3/b32-21+;31-20+;30-20+;29-19+.

What are the key properties of N,N-diethyl-4-[5-[[(3-methylphenyl)methylideneamino]methyl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]aniline;N-(2-methoxyethyl)-4-[5-[[(3-methylphenyl)methylideneamino]methyl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]aniline;1-[4-[4-[5-[[(3-methylphenyl)methylideneamino]methyl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]phenyl]piperazin-1-yl]ethanone;1-(3-methylphenyl)-N-[[7-morpholin-4-yl-2-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]methyl]methanimine?

N,N-diethyl-4-[5-[[(3-methylphenyl)methylideneamino]methyl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]aniline;N-(2-methoxyethyl)-4-[5-[[(3-methylphenyl)methylideneamino]methyl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]aniline;1-[4-[4-[5-[[(3-methylphenyl)methylideneamino]methyl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]phenyl]piperazin-1-yl]ethanone;1-(3-methylphenyl)-N-[[7-morpholin-4-yl-2-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]methyl]methanimine has a molecular weight of 2000.53 g/mol, XLogP of 16.62, 29 rotatable bonds, 2 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-diethyl-4-[5-[[(3-methylphenyl)methylideneamino]methyl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]aniline;N-(2-methoxyethyl)-4-[5-[[(3-methylphenyl)methylideneamino]methyl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]aniline;1-[4-[4-[5-[[(3-methylphenyl)methylideneamino]methyl]-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]phenyl]piperazin-1-yl]ethanone;1-(3-methylphenyl)-N-[[7-morpholin-4-yl-2-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]methyl]methanimine is sourced from PubChem (CID 160740409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).