3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]benzonitrile;methyl 3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]benzenecarboximidate;[3-[3-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanimine

C71H69N13O5Si — CID 158299893

IUPAC3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]benzonitrile;methyl 3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]benzenecarboximidate;[3-[3-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanimine
SMILESCOc1ccccc1-c1nn(COCC[Si](C)(C)C)c2ncc(-c3cccc(C#N)c3)cc12.[H]/N=C(/c1cccc(-c2cnc3n[nH]c(-c4ccccc4C)c3c2)c1)N1CCOCC1.[H]/N=C(\OC)c1cccc(-c2cnc3n[nH]c(-c4ccccc4OC)c3c2)c1
InChIInChI=1S/C26H28N4O2Si.C24H23N5O.C21H18N4O2/c1-31-24-11-6-5-10-22(24)25-23-15-21(20-9-7-8-19(14-20)16-27)17-28-26(23)30(29-25)18-32-12-13-33(2,3)4;1-16-5-2-3-8-20(16)22-21-14-19(15-26-24(21)28-27-22)17-6-4-7-18(13-17)23(25)29-9-11-30-12-10-29;1-26-18-9-4-3-8-16(18)19-17-11-15(12-23-21(17)25-24-19)13-6-5-7-14(10-13)20(22)27-2/h5-11,14-15,17H,12-13,18H2,1-4H3;2-8,13-15,25H,9-12H2,1H3,(H,26,27,28);3-12,22H,1-2H3,(H,23,24,25)/b;25-23-;22-20-
InChIKeyGMJIIFJGPAUHAK-MSZMMCAWSA-N
MW1212.50 g/mol
LogP14.49
Rot. Bonds15

About 3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]benzonitrile;methyl 3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]benzenecarboximidate;[3-[3-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanimine

3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]benzonitrile;methyl 3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]benzenecarboximidate;[3-[3-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanimine (PubChem CID 158299893) has the molecular formula C71H69N13O5Si and a molecular weight of 1212.50 g/mol. Its IUPAC name is 3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]benzonitrile;methyl 3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]benzenecarboximidate;[3-[3-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanimine.

Molecular Properties

Compound Name3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]benzonitrile;methyl 3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]benzenecarboximidate;[3-[3-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanimine
PubChem CID158299893
Molecular FormulaC71H69N13O5Si
Molecular Weight1212.50 g/mol
Exact Mass1211.53
IUPAC Name3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]benzonitrile;methyl 3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]benzenecarboximidate;[3-[3-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanimine
SMILESCOc1ccccc1-c1nn(COCC[Si](C)(C)C)c2ncc(-c3cccc(C#N)c3)cc12.[H]/N=C(/c1cccc(-c2cnc3n[nH]c(-c4ccccc4C)c3c2)c1)N1CCOCC1.[H]/N=C(\OC)c1cccc(-c2cnc3n[nH]c(-c4ccccc4OC)c3c2)c1
InChIInChI=1S/C26H28N4O2Si.C24H23N5O.C21H18N4O2/c1-31-24-11-6-5-10-22(24)25-23-15-21(20-9-7-8-19(14-20)16-27)17-28-26(23)30(29-25)18-32-12-13-33(2,3)4;1-16-5-2-3-8-20(16)22-21-14-19(15-26-24(21)28-27-22)17-6-4-7-18(13-17)23(25)29-9-11-30-12-10-29;1-26-18-9-4-3-8-16(18)19-17-11-15(12-23-21(17)25-24-19)13-6-5-7-14(10-13)20(22)27-2/h5-11,14-15,17H,12-13,18H2,1-4H3;2-8,13-15,25H,9-12H2,1H3,(H,26,27,28);3-12,22H,1-2H3,(H,23,24,25)/b;25-23-;22-20-
InChIKeyGMJIIFJGPAUHAK-MSZMMCAWSA-N
XLogP14.49
TPSA234.73 Ų
H-Bond Donors4
H-Bond Acceptors15
Rotatable Bonds15
Heavy Atoms90
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001212.50
LogP ≤ 514.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]benzonitrile;methyl 3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]benzenecarboximidate;[3-[3-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanimine with MolForge

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Related Compounds

C-{3-[3-(2-Methoxy-phenyl)-1H-pyrazolo[3,4-b]pyridin-5-yl]-phenyl}-C-morpholin-4-yl-methyleneamine
CID 59836139
2,3,4-tris(9-methoxy-3H-pyrazolo[5,4-c]isoquinolin-5-yl)phenol
CID 136338021
2-hydroxy-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N,N-dimethylpropanamide;2-hydroxy-2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-N,N-dimethylpropanamide
CID 157109963
[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-[3-[3-(5-fluoro-2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]methanone;[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-[3-[3-(5-fluoro-2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]methanone
CID 157969491
(3-bromophenyl)-(3-methyl-2-pyridinyl)methanol;2-ethoxyethyl(trimethyl)silane;[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-(3-methyl-2-pyridinyl)methanol;2-[[3-(2-methoxyphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-(3-methyl-2-pyridinyl)methanol
CID 158714107
7-methoxy-6-(4-methoxyphenyl)-2,3-diphenyl-N-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-5-amine;7-methoxy-6-(4-methoxyphenyl)-2,3-diphenyl-N-[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 159001464
2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N,N-dimethylacetamide;2-[[3-(2-methoxyphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]acetic acid;2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-N,N-dimethylacetamide
CID 159064352
3-(2-methoxyphenyl)-5-[3-(pyrrolidin-1-ylmethyl)phenyl]-2H-pyrazolo[3,4-b]pyridine;3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]benzaldehyde
CID 159099801
5-[2-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-(oxan-4-yloxy)benzonitrile;5-[2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-2-(oxan-4-yloxy)benzonitrile;2-(oxan-4-yloxy)-5-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)benzonitrile
CID 159534549
2-(dimethylamino)-2-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-N,N-dimethylacetamide;2-(dimethylamino)-2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]-N,N-dimethylacetamide
CID 159931544
2-[[5-(3-ethenylphenyl)-3-(2-methoxyphenyl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;2-ethoxyethyl(trimethyl)silane;1-[3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]ethane-1,2-diol;1-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]ethane-1,2-diol
CID 160085442
2-[[3-(2-methoxyphenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;3-(2-methoxyphenyl)-5-[4-(2H-tetrazol-5-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine
CID 160412212

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]benzonitrile;methyl 3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]benzenecarboximidate;[3-[3-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanimine?
The IUPAC name of 3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]benzonitrile;methyl 3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]benzenecarboximidate;[3-[3-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanimine (CID 158299893) is 3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]benzonitrile;methyl 3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]benzenecarboximidate;[3-[3-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanimine.
What is the SMILES notation for 3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]benzonitrile;methyl 3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]benzenecarboximidate;[3-[3-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanimine?
The canonical SMILES for 3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]benzonitrile;methyl 3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]benzenecarboximidate;[3-[3-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanimine is COc1ccccc1-c1nn(COCC[Si](C)(C)C)c2ncc(-c3cccc(C#N)c3)cc12.[H]/N=C(/c1cccc(-c2cnc3n[nH]c(-c4ccccc4C)c3c2)c1)N1CCOCC1.[H]/N=C(\OC)c1cccc(-c2cnc3n[nH]c(-c4ccccc4OC)c3c2)c1.
What is the InChIKey of 3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]benzonitrile;methyl 3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]benzenecarboximidate;[3-[3-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanimine?
The InChIKey is GMJIIFJGPAUHAK-MSZMMCAWSA-N. The full InChI is InChI=1S/C26H28N4O2Si.C24H23N5O.C21H18N4O2/c1-31-24-11-6-5-10-22(24)25-23-15-21(20-9-7-8-19(14-20)16-27)17-28-26(23)30(29-25)18-32-12-13-33(2,3)4;1-16-5-2-3-8-20(16)22-21-14-19(15-26-24(21)28-27-22)17-6-4-7-18(13-17)23(25)29-9-11-30-12-10-29;1-26-18-9-4-3-8-16(18)19-17-11-15(12-23-21(17)25-24-19)13-6-5-7-14(10-13)20(22)27-2/h5-11,14-15,17H,12-13,18H2,1-4H3;2-8,13-15,25H,9-12H2,1H3,(H,26,27,28);3-12,22H,1-2H3,(H,23,24,25)/b;25-23-;22-20-.
What are the key properties of 3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]benzonitrile;methyl 3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]benzenecarboximidate;[3-[3-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanimine?
3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]benzonitrile;methyl 3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]benzenecarboximidate;[3-[3-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanimine has a molecular weight of 1212.50 g/mol, XLogP of 14.49, 15 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]benzonitrile;methyl 3-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]benzenecarboximidate;[3-[3-(2-methylphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanimine is sourced from PubChem (CID 158299893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).