N-[[7-(2,2-dimethylmorpholin-4-yl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl]-1-(3-methylphenyl)methanimine;1-(3-methoxyphenyl)-N-[(7-morpholin-4-yl-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine;2-methyl-N-[[7-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl]propan-1-imine;1-(3-methylphenyl)-N-[(7-morpholin-4-yl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine;1-(3-methylphenyl)-N-[(7-morpholin-4-yl-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine;N-[3-[(7-morpholin-4-yl-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyliminomethyl]phenyl]methanesulfonamide

C139H148N44O8S — CID 158263918

IUPACN-[[7-(2,2-dimethylmorpholin-4-yl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl]-1-(3-methylphenyl)methanimine;1-(3-methoxyphenyl)-N-[(7-morpholin-4-yl-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine;2-methyl-N-[[7-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl]propan-1-imine;1-(3-methylphenyl)-N-[(7-morpholin-4-yl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine;1-(3-methylphenyl)-N-[(7-morpholin-4-yl-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine;N-[3-[(7-morpholin-4-yl-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyliminomethyl]phenyl]methanesulfonamide
SMILESCC(C)/C=N/Cc1cc(N2CC3CN(C)CC3C2)n2nc(-c3ccncc3)nc2n1.COc1cccc(/C=N/Cc2cc(N3CCOCC3)n3nc(-c4ccncc4)nc3n2)c1.CS(=O)(=O)Nc1cccc(/C=N/Cc2cc(N3CCOCC3)n3nc(-c4ccncc4)nc3n2)c1.Cc1cccc(/C=N/Cc2cc(N3CCOC(C)(C)C3)n3nc(-c4ccncc4)nc3n2)c1.Cc1cccc(/C=N/Cc2cc(N3CCOCC3)n3nc(-c4cccnc4)nc3n2)c1.Cc1cccc(/C=N/Cc2cc(N3CCOCC3)n3nc(-c4ccncc4)nc3n2)c1
InChIInChI=1S/C25H27N7O.C23H24N8O3S.C23H23N7O2.2C23H23N7O.C22H28N8/c1-18-5-4-6-19(13-18)15-27-16-21-14-22(31-11-12-33-25(2,3)17-31)32-24(28-21)29-23(30-32)20-7-9-26-10-8-20;1-35(32,33)29-19-4-2-3-17(13-19)15-25-16-20-14-21(30-9-11-34-12-10-30)31-23(26-20)27-22(28-31)18-5-7-24-8-6-18;1-31-20-4-2-3-17(13-20)15-25-16-19-14-21(29-9-11-32-12-10-29)30-23(26-19)27-22(28-30)18-5-7-24-8-6-18;1-17-4-2-5-18(12-17)14-25-16-20-13-21(29-8-10-31-11-9-29)30-23(26-20)27-22(28-30)19-6-3-7-24-15-19;1-17-3-2-4-18(13-17)15-25-16-20-14-21(29-9-11-31-12-10-29)30-23(26-20)27-22(28-30)19-5-7-24-8-6-19;1-15(2)9-24-10-19-8-20(29-13-17-11-28(3)12-18(17)14-29)30-22(25-19)26-21(27-30)16-4-6-23-7-5-16/h4-10,13-15H,11-12,16-17H2,1-3H3;2-8,13-15,29H,9-12,16H2,1H3;2-8,13-15H,9-12,16H2,1H3;2-7,12-15H,8-11,16H2,1H3;2-8,13-15H,9-12,16H2,1H3;4-9,15,17-18H,10-14H2,1-3H3/b27-15+;2*25-15+;25-14+;25-15+;24-9+
InChIKeyGIFAGHNEJDNDPU-XPPYEJOWSA-N
MW2595.08 g/mol
LogP16.70
Rot. Bonds33

About N-[[7-(2,2-dimethylmorpholin-4-yl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl]-1-(3-methylphenyl)methanimine;1-(3-methoxyphenyl)-N-[(7-morpholin-4-yl-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine;2-methyl-N-[[7-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl]propan-1-imine;1-(3-methylphenyl)-N-[(7-morpholin-4-yl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine;1-(3-methylphenyl)-N-[(7-morpholin-4-yl-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine;N-[3-[(7-morpholin-4-yl-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyliminomethyl]phenyl]methanesulfonamide

N-[[7-(2,2-dimethylmorpholin-4-yl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl]-1-(3-methylphenyl)methanimine;1-(3-methoxyphenyl)-N-[(7-morpholin-4-yl-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine;2-methyl-N-[[7-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl]propan-1-imine;1-(3-methylphenyl)-N-[(7-morpholin-4-yl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine;1-(3-methylphenyl)-N-[(7-morpholin-4-yl-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine;N-[3-[(7-morpholin-4-yl-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyliminomethyl]phenyl]methanesulfonamide (PubChem CID 158263918) has the molecular formula C139H148N44O8S and a molecular weight of 2595.08 g/mol. Its IUPAC name is N-[[7-(2,2-dimethylmorpholin-4-yl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl]-1-(3-methylphenyl)methanimine;1-(3-methoxyphenyl)-N-[(7-morpholin-4-yl-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine;2-methyl-N-[[7-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl]propan-1-imine;1-(3-methylphenyl)-N-[(7-morpholin-4-yl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine;1-(3-methylphenyl)-N-[(7-morpholin-4-yl-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine;N-[3-[(7-morpholin-4-yl-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyliminomethyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[7-(2,2-dimethylmorpholin-4-yl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl]-1-(3-methylphenyl)methanimine;1-(3-methoxyphenyl)-N-[(7-morpholin-4-yl-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine;2-methyl-N-[[7-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl]propan-1-imine;1-(3-methylphenyl)-N-[(7-morpholin-4-yl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine;1-(3-methylphenyl)-N-[(7-morpholin-4-yl-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine;N-[3-[(7-morpholin-4-yl-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyliminomethyl]phenyl]methanesulfonamide
PubChem CID158263918
Molecular FormulaC139H148N44O8S
Molecular Weight2595.08 g/mol
Exact Mass2593.22
IUPAC NameN-[[7-(2,2-dimethylmorpholin-4-yl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl]-1-(3-methylphenyl)methanimine;1-(3-methoxyphenyl)-N-[(7-morpholin-4-yl-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine;2-methyl-N-[[7-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl]propan-1-imine;1-(3-methylphenyl)-N-[(7-morpholin-4-yl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine;1-(3-methylphenyl)-N-[(7-morpholin-4-yl-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine;N-[3-[(7-morpholin-4-yl-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyliminomethyl]phenyl]methanesulfonamide
SMILESCC(C)/C=N/Cc1cc(N2CC3CN(C)CC3C2)n2nc(-c3ccncc3)nc2n1.COc1cccc(/C=N/Cc2cc(N3CCOCC3)n3nc(-c4ccncc4)nc3n2)c1.CS(=O)(=O)Nc1cccc(/C=N/Cc2cc(N3CCOCC3)n3nc(-c4ccncc4)nc3n2)c1.Cc1cccc(/C=N/Cc2cc(N3CCOC(C)(C)C3)n3nc(-c4ccncc4)nc3n2)c1.Cc1cccc(/C=N/Cc2cc(N3CCOCC3)n3nc(-c4cccnc4)nc3n2)c1.Cc1cccc(/C=N/Cc2cc(N3CCOCC3)n3nc(-c4ccncc4)nc3n2)c1
InChIInChI=1S/C25H27N7O.C23H24N8O3S.C23H23N7O2.2C23H23N7O.C22H28N8/c1-18-5-4-6-19(13-18)15-27-16-21-14-22(31-11-12-33-25(2,3)17-31)32-24(28-21)29-23(30-32)20-7-9-26-10-8-20;1-35(32,33)29-19-4-2-3-17(13-19)15-25-16-20-14-21(30-9-11-34-12-10-30)31-23(26-20)27-22(28-31)18-5-7-24-8-6-18;1-31-20-4-2-3-17(13-20)15-25-16-19-14-21(29-9-11-32-12-10-29)30-23(26-19)27-22(28-30)18-5-7-24-8-6-18;1-17-4-2-5-18(12-17)14-25-16-20-13-21(29-8-10-31-11-9-29)30-23(26-20)27-22(28-30)19-6-3-7-24-15-19;1-17-3-2-4-18(13-17)15-25-16-20-14-21(29-9-11-31-12-10-29)30-23(26-20)27-22(28-30)19-5-7-24-8-6-19;1-15(2)9-24-10-19-8-20(29-13-17-11-28(3)12-18(17)14-29)30-22(25-19)26-21(27-30)16-4-6-23-7-5-16/h4-10,13-15H,11-12,16-17H2,1-3H3;2-8,13-15,29H,9-12,16H2,1H3;2-8,13-15H,9-12,16H2,1H3;2-7,12-15H,8-11,16H2,1H3;2-8,13-15H,9-12,16H2,1H3;4-9,15,17-18H,10-14H2,1-3H3/b27-15+;2*25-15+;25-14+;25-15+;24-9+
InChIKeyGIFAGHNEJDNDPU-XPPYEJOWSA-N
XLogP16.70
TPSA534.21 Ų
H-Bond Donors1
H-Bond Acceptors51
Rotatable Bonds33
Heavy Atoms192
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002595.08
LogP ≤ 516.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1051

Computed Properties (RDKit)

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

Analyze N-[[7-(2,2-dimethylmorpholin-4-yl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl]-1-(3-methylphenyl)methanimine;1-(3-methoxyphenyl)-N-[(7-morpholin-4-yl-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine;2-methyl-N-[[7-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl]propan-1-imine;1-(3-methylphenyl)-N-[(7-morpholin-4-yl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine;1-(3-methylphenyl)-N-[(7-morpholin-4-yl-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine;N-[3-[(7-morpholin-4-yl-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyliminomethyl]phenyl]methanesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[7-(2,2-dimethylmorpholin-4-yl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl]-1-(3-methylphenyl)methanimine;1-(3-methoxyphenyl)-N-[(7-morpholin-4-yl-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine;2-methyl-N-[[7-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl]propan-1-imine;1-(3-methylphenyl)-N-[(7-morpholin-4-yl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine;1-(3-methylphenyl)-N-[(7-morpholin-4-yl-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine;N-[3-[(7-morpholin-4-yl-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyliminomethyl]phenyl]methanesulfonamide?
The IUPAC name of N-[[7-(2,2-dimethylmorpholin-4-yl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl]-1-(3-methylphenyl)methanimine;1-(3-methoxyphenyl)-N-[(7-morpholin-4-yl-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine;2-methyl-N-[[7-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl]propan-1-imine;1-(3-methylphenyl)-N-[(7-morpholin-4-yl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine;1-(3-methylphenyl)-N-[(7-morpholin-4-yl-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine;N-[3-[(7-morpholin-4-yl-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyliminomethyl]phenyl]methanesulfonamide (CID 158263918) is N-[[7-(2,2-dimethylmorpholin-4-yl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl]-1-(3-methylphenyl)methanimine;1-(3-methoxyphenyl)-N-[(7-morpholin-4-yl-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine;2-methyl-N-[[7-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl]propan-1-imine;1-(3-methylphenyl)-N-[(7-morpholin-4-yl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine;1-(3-methylphenyl)-N-[(7-morpholin-4-yl-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine;N-[3-[(7-morpholin-4-yl-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyliminomethyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[[7-(2,2-dimethylmorpholin-4-yl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl]-1-(3-methylphenyl)methanimine;1-(3-methoxyphenyl)-N-[(7-morpholin-4-yl-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine;2-methyl-N-[[7-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl]propan-1-imine;1-(3-methylphenyl)-N-[(7-morpholin-4-yl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine;1-(3-methylphenyl)-N-[(7-morpholin-4-yl-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine;N-[3-[(7-morpholin-4-yl-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyliminomethyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[[7-(2,2-dimethylmorpholin-4-yl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl]-1-(3-methylphenyl)methanimine;1-(3-methoxyphenyl)-N-[(7-morpholin-4-yl-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine;2-methyl-N-[[7-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl]propan-1-imine;1-(3-methylphenyl)-N-[(7-morpholin-4-yl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine;1-(3-methylphenyl)-N-[(7-morpholin-4-yl-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine;N-[3-[(7-morpholin-4-yl-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyliminomethyl]phenyl]methanesulfonamide is CC(C)/C=N/Cc1cc(N2CC3CN(C)CC3C2)n2nc(-c3ccncc3)nc2n1.COc1cccc(/C=N/Cc2cc(N3CCOCC3)n3nc(-c4ccncc4)nc3n2)c1.CS(=O)(=O)Nc1cccc(/C=N/Cc2cc(N3CCOCC3)n3nc(-c4ccncc4)nc3n2)c1.Cc1cccc(/C=N/Cc2cc(N3CCOC(C)(C)C3)n3nc(-c4ccncc4)nc3n2)c1.Cc1cccc(/C=N/Cc2cc(N3CCOCC3)n3nc(-c4cccnc4)nc3n2)c1.Cc1cccc(/C=N/Cc2cc(N3CCOCC3)n3nc(-c4ccncc4)nc3n2)c1.
What is the InChIKey of N-[[7-(2,2-dimethylmorpholin-4-yl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl]-1-(3-methylphenyl)methanimine;1-(3-methoxyphenyl)-N-[(7-morpholin-4-yl-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine;2-methyl-N-[[7-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl]propan-1-imine;1-(3-methylphenyl)-N-[(7-morpholin-4-yl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine;1-(3-methylphenyl)-N-[(7-morpholin-4-yl-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine;N-[3-[(7-morpholin-4-yl-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyliminomethyl]phenyl]methanesulfonamide?
The InChIKey is GIFAGHNEJDNDPU-XPPYEJOWSA-N. The full InChI is InChI=1S/C25H27N7O.C23H24N8O3S.C23H23N7O2.2C23H23N7O.C22H28N8/c1-18-5-4-6-19(13-18)15-27-16-21-14-22(31-11-12-33-25(2,3)17-31)32-24(28-21)29-23(30-32)20-7-9-26-10-8-20;1-35(32,33)29-19-4-2-3-17(13-19)15-25-16-20-14-21(30-9-11-34-12-10-30)31-23(26-20)27-22(28-31)18-5-7-24-8-6-18;1-31-20-4-2-3-17(13-20)15-25-16-19-14-21(29-9-11-32-12-10-29)30-23(26-19)27-22(28-30)18-5-7-24-8-6-18;1-17-4-2-5-18(12-17)14-25-16-20-13-21(29-8-10-31-11-9-29)30-23(26-20)27-22(28-30)19-6-3-7-24-15-19;1-17-3-2-4-18(13-17)15-25-16-20-14-21(29-9-11-31-12-10-29)30-23(26-20)27-22(28-30)19-5-7-24-8-6-19;1-15(2)9-24-10-19-8-20(29-13-17-11-28(3)12-18(17)14-29)30-22(25-19)26-21(27-30)16-4-6-23-7-5-16/h4-10,13-15H,11-12,16-17H2,1-3H3;2-8,13-15,29H,9-12,16H2,1H3;2-8,13-15H,9-12,16H2,1H3;2-7,12-15H,8-11,16H2,1H3;2-8,13-15H,9-12,16H2,1H3;4-9,15,17-18H,10-14H2,1-3H3/b27-15+;2*25-15+;25-14+;25-15+;24-9+.
What are the key properties of N-[[7-(2,2-dimethylmorpholin-4-yl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl]-1-(3-methylphenyl)methanimine;1-(3-methoxyphenyl)-N-[(7-morpholin-4-yl-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine;2-methyl-N-[[7-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl]propan-1-imine;1-(3-methylphenyl)-N-[(7-morpholin-4-yl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine;1-(3-methylphenyl)-N-[(7-morpholin-4-yl-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine;N-[3-[(7-morpholin-4-yl-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyliminomethyl]phenyl]methanesulfonamide?
N-[[7-(2,2-dimethylmorpholin-4-yl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl]-1-(3-methylphenyl)methanimine;1-(3-methoxyphenyl)-N-[(7-morpholin-4-yl-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine;2-methyl-N-[[7-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl]propan-1-imine;1-(3-methylphenyl)-N-[(7-morpholin-4-yl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine;1-(3-methylphenyl)-N-[(7-morpholin-4-yl-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine;N-[3-[(7-morpholin-4-yl-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyliminomethyl]phenyl]methanesulfonamide has a molecular weight of 2595.08 g/mol, XLogP of 16.70, 33 rotatable bonds, 1 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-(2,2-dimethylmorpholin-4-yl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl]-1-(3-methylphenyl)methanimine;1-(3-methoxyphenyl)-N-[(7-morpholin-4-yl-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine;2-methyl-N-[[7-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl]propan-1-imine;1-(3-methylphenyl)-N-[(7-morpholin-4-yl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine;1-(3-methylphenyl)-N-[(7-morpholin-4-yl-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine;N-[3-[(7-morpholin-4-yl-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyliminomethyl]phenyl]methanesulfonamide is sourced from PubChem (CID 158263918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).