1-(3-acetylphenyl)-2-[3-[[1-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3H-isoindol-5-yl]-methylamino]phenyl]ethanone;1-(2-ethyl-5-methylpyrazol-3-yl)-2-[3-[1-[(E)-2-pyridin-2-ylethenyl]-3H-isoindole-5-carbonyl]phenyl]ethanone;2-[3-[[1-(1H-inden-2-yl)-3H-isoindol-5-yl]oxy]phenyl]-1-(3-methylphenyl)ethanone;1-phenyl-2-[3-[1-[(E)-pyrrol-1-yliminomethyl]-3H-isoindole-5-carbonyl]phenyl]ethanone;N-[3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide;N-[3-[[3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide;hydrochloride

C177H140ClN17O14S — CID 172938390

IUPAC1-(3-acetylphenyl)-2-[3-[[1-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3H-isoindol-5-yl]-methylamino]phenyl]ethanone;1-(2-ethyl-5-methylpyrazol-3-yl)-2-[3-[1-[(E)-2-pyridin-2-ylethenyl]-3H-isoindole-5-carbonyl]phenyl]ethanone;2-[3-[[1-(1H-inden-2-yl)-3H-isoindol-5-yl]oxy]phenyl]-1-(3-methylphenyl)ethanone;1-phenyl-2-[3-[1-[(E)-pyrrol-1-yliminomethyl]-3H-isoindole-5-carbonyl]phenyl]ethanone;N-[3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide;N-[3-[[3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide;hydrochloride
SMILESCC(=O)c1cccc(C(=O)Cc2cccc(N(C)c3ccc4c(c3)CN=C4/C=C/c3ccc4c(c3)OCO4)c2)c1.CCn1nc(C)cc1C(=O)Cc1cccc(C(=O)c2ccc3c(c2)CN=C3/C=C/c2ccccn2)c1.Cc1cccc(C(=O)Cc2cccc(Oc3ccc4c(c3)CN=C4C3=Cc4ccccc4C3)c2)c1.Cl.O=C(Cc1cccc(C(=O)c2ccc3c(c2)CN=C3/C=N/n2cccc2)c1)c1ccccc1.O=C(Nc1cccc(Oc2ccc3c(/C=C/c4ccccn4)n[nH]c3c2)c1)c1ccccc1.O=C(Nc1cccc(Oc2ccc3c(/C=C/c4cccs4)n[nH]c3c2)c1)c1ccccc1
InChIInChI=1S/C34H28N2O4.C32H25NO2.C30H26N4O2.C28H21N3O2.C27H20N4O2.C26H19N3O2S.ClH/c1-22(37)25-6-4-7-26(18-25)32(38)16-24-5-3-8-28(15-24)36(2)29-11-12-30-27(19-29)20-35-31(30)13-9-23-10-14-33-34(17-23)40-21-39-33;1-21-6-4-10-25(14-21)31(34)16-22-7-5-11-28(15-22)35-29-12-13-30-27(19-29)20-33-32(30)26-17-23-8-2-3-9-24(23)18-26;1-3-34-28(15-20(2)33-34)29(35)17-21-7-6-8-22(16-21)30(36)23-10-12-26-24(18-23)19-32-27(26)13-11-25-9-4-5-14-31-25;32-27(21-8-2-1-3-9-21)16-20-7-6-10-22(15-20)28(33)23-11-12-25-24(17-23)18-29-26(25)19-30-31-13-4-5-14-31;32-27(19-7-2-1-3-8-19)29-21-10-6-11-22(17-21)33-23-13-14-24-25(30-31-26(24)18-23)15-12-20-9-4-5-16-28-20;30-26(18-6-2-1-3-7-18)27-19-8-4-9-20(16-19)31-21-11-13-23-24(28-29-25(23)17-21)14-12-22-10-5-15-32-22;/h3-15,17-19H,16,20-21H2,1-2H3;2-15,17,19H,16,18,20H2,1H3;4-16,18H,3,17,19H2,1-2H3;1-15,17,19H,16,18H2;1-18H,(H,29,32)(H,30,31);1-17H,(H,27,30)(H,28,29);1H/b13-9+;;13-11+;30-19+;15-12+;14-12+;
InChIKeySXOCWWNAXDNJHR-AXHBCTEFSA-N
MW2796.69 g/mol
LogP37.68
Rot. Bonds41

About 1-(3-acetylphenyl)-2-[3-[[1-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3H-isoindol-5-yl]-methylamino]phenyl]ethanone;1-(2-ethyl-5-methylpyrazol-3-yl)-2-[3-[1-[(E)-2-pyridin-2-ylethenyl]-3H-isoindole-5-carbonyl]phenyl]ethanone;2-[3-[[1-(1H-inden-2-yl)-3H-isoindol-5-yl]oxy]phenyl]-1-(3-methylphenyl)ethanone;1-phenyl-2-[3-[1-[(E)-pyrrol-1-yliminomethyl]-3H-isoindole-5-carbonyl]phenyl]ethanone;N-[3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide;N-[3-[[3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide;hydrochloride

1-(3-acetylphenyl)-2-[3-[[1-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3H-isoindol-5-yl]-methylamino]phenyl]ethanone;1-(2-ethyl-5-methylpyrazol-3-yl)-2-[3-[1-[(E)-2-pyridin-2-ylethenyl]-3H-isoindole-5-carbonyl]phenyl]ethanone;2-[3-[[1-(1H-inden-2-yl)-3H-isoindol-5-yl]oxy]phenyl]-1-(3-methylphenyl)ethanone;1-phenyl-2-[3-[1-[(E)-pyrrol-1-yliminomethyl]-3H-isoindole-5-carbonyl]phenyl]ethanone;N-[3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide;N-[3-[[3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide;hydrochloride (PubChem CID 172938390) has the molecular formula C177H140ClN17O14S and a molecular weight of 2796.69 g/mol. Its IUPAC name is 1-(3-acetylphenyl)-2-[3-[[1-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3H-isoindol-5-yl]-methylamino]phenyl]ethanone;1-(2-ethyl-5-methylpyrazol-3-yl)-2-[3-[1-[(E)-2-pyridin-2-ylethenyl]-3H-isoindole-5-carbonyl]phenyl]ethanone;2-[3-[[1-(1H-inden-2-yl)-3H-isoindol-5-yl]oxy]phenyl]-1-(3-methylphenyl)ethanone;1-phenyl-2-[3-[1-[(E)-pyrrol-1-yliminomethyl]-3H-isoindole-5-carbonyl]phenyl]ethanone;N-[3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide;N-[3-[[3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide;hydrochloride.

Molecular Properties

Compound Name1-(3-acetylphenyl)-2-[3-[[1-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3H-isoindol-5-yl]-methylamino]phenyl]ethanone;1-(2-ethyl-5-methylpyrazol-3-yl)-2-[3-[1-[(E)-2-pyridin-2-ylethenyl]-3H-isoindole-5-carbonyl]phenyl]ethanone;2-[3-[[1-(1H-inden-2-yl)-3H-isoindol-5-yl]oxy]phenyl]-1-(3-methylphenyl)ethanone;1-phenyl-2-[3-[1-[(E)-pyrrol-1-yliminomethyl]-3H-isoindole-5-carbonyl]phenyl]ethanone;N-[3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide;N-[3-[[3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide;hydrochloride
PubChem CID172938390
Molecular FormulaC177H140ClN17O14S
Molecular Weight2796.69 g/mol
Exact Mass2794.02
IUPAC Name1-(3-acetylphenyl)-2-[3-[[1-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3H-isoindol-5-yl]-methylamino]phenyl]ethanone;1-(2-ethyl-5-methylpyrazol-3-yl)-2-[3-[1-[(E)-2-pyridin-2-ylethenyl]-3H-isoindole-5-carbonyl]phenyl]ethanone;2-[3-[[1-(1H-inden-2-yl)-3H-isoindol-5-yl]oxy]phenyl]-1-(3-methylphenyl)ethanone;1-phenyl-2-[3-[1-[(E)-pyrrol-1-yliminomethyl]-3H-isoindole-5-carbonyl]phenyl]ethanone;N-[3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide;N-[3-[[3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide;hydrochloride
SMILESCC(=O)c1cccc(C(=O)Cc2cccc(N(C)c3ccc4c(c3)CN=C4/C=C/c3ccc4c(c3)OCO4)c2)c1.CCn1nc(C)cc1C(=O)Cc1cccc(C(=O)c2ccc3c(c2)CN=C3/C=C/c2ccccn2)c1.Cc1cccc(C(=O)Cc2cccc(Oc3ccc4c(c3)CN=C4C3=Cc4ccccc4C3)c2)c1.Cl.O=C(Cc1cccc(C(=O)c2ccc3c(c2)CN=C3/C=N/n2cccc2)c1)c1ccccc1.O=C(Nc1cccc(Oc2ccc3c(/C=C/c4ccccn4)n[nH]c3c2)c1)c1ccccc1.O=C(Nc1cccc(Oc2ccc3c(/C=C/c4cccs4)n[nH]c3c2)c1)c1ccccc1
InChIInChI=1S/C34H28N2O4.C32H25NO2.C30H26N4O2.C28H21N3O2.C27H20N4O2.C26H19N3O2S.ClH/c1-22(37)25-6-4-7-26(18-25)32(38)16-24-5-3-8-28(15-24)36(2)29-11-12-30-27(19-29)20-35-31(30)13-9-23-10-14-33-34(17-23)40-21-39-33;1-21-6-4-10-25(14-21)31(34)16-22-7-5-11-28(15-22)35-29-12-13-30-27(19-29)20-33-32(30)26-17-23-8-2-3-9-24(23)18-26;1-3-34-28(15-20(2)33-34)29(35)17-21-7-6-8-22(16-21)30(36)23-10-12-26-24(18-23)19-32-27(26)13-11-25-9-4-5-14-31-25;32-27(21-8-2-1-3-9-21)16-20-7-6-10-22(15-20)28(33)23-11-12-25-24(17-23)18-29-26(25)19-30-31-13-4-5-14-31;32-27(19-7-2-1-3-8-19)29-21-10-6-11-22(17-21)33-23-13-14-24-25(30-31-26(24)18-23)15-12-20-9-4-5-16-28-20;30-26(18-6-2-1-3-7-18)27-19-8-4-9-20(16-19)31-21-11-13-23-24(28-29-25(23)17-21)14-12-22-10-5-15-32-22;/h3-15,17-19H,16,20-21H2,1-2H3;2-15,17,19H,16,18,20H2,1H3;4-16,18H,3,17,19H2,1-2H3;1-15,17,19H,16,18H2;1-18H,(H,29,32)(H,30,31);1-17H,(H,27,30)(H,28,29);1H/b13-9+;;13-11+;30-19+;15-12+;14-12+;
InChIKeySXOCWWNAXDNJHR-AXHBCTEFSA-N
XLogP37.68
TPSA394.77 Ų
H-Bond Donors4
H-Bond Acceptors28
Rotatable Bonds41
Heavy Atoms210
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002796.69
LogP ≤ 537.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

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

Analyze 1-(3-acetylphenyl)-2-[3-[[1-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3H-isoindol-5-yl]-methylamino]phenyl]ethanone;1-(2-ethyl-5-methylpyrazol-3-yl)-2-[3-[1-[(E)-2-pyridin-2-ylethenyl]-3H-isoindole-5-carbonyl]phenyl]ethanone;2-[3-[[1-(1H-inden-2-yl)-3H-isoindol-5-yl]oxy]phenyl]-1-(3-methylphenyl)ethanone;1-phenyl-2-[3-[1-[(E)-pyrrol-1-yliminomethyl]-3H-isoindole-5-carbonyl]phenyl]ethanone;N-[3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide;N-[3-[[3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide;hydrochloride with MolForge

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Related Compounds

2-(1,3-benzodioxol-5-yl)-N-[3-[2-(trifluoromethyl)phenyl]-1H-indazol-5-yl]acetamide;N-[3-(furan-2-yl)-1H-indazol-5-yl]-3-hydroxy-2-phenylpropanamide;2-methoxy-N-(3-thiophen-3-yl-1H-indazol-5-yl)acetamide;N-(3-naphthalen-2-yl-1H-indazol-5-yl)acetamide;N-(3-naphthalen-2-yl-1H-indazol-5-yl)methanesulfonamide;N-(3-thiophen-2-yl-1H-indazol-5-yl)pyridine-2-carboxamide
CID 161220655
1-tert-butyl-4-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);1-methyl-6-propan-2-ylindazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-3-propan-2-yl-5-(trifluoromethyl)benzene;1-(oxan-2-yl)-4-propan-2-ylpyrazole;5-propan-2-yl-1,3-benzodioxole;2-propan-2-ylfuran;3-propan-2-ylfuran;5-propan-2-yl-1H-indole;1-propan-2-ylnaphthalene;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 164988231
N-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-oxo-1-phenylbutan-2-yl]-1H-indole-4-carboxamide;N-[1-(4-hydroxyphenyl)-4-(1H-indol-7-yl)-3-oxobutan-2-yl]benzamide;N-[4-(1H-indazol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-(4-isoquinolin-5-yl-3-oxo-1-phenylbutan-2-yl)-1H-indole-4-carboxamide;N-[4-(2-methoxyphenyl)-3-oxo-1-phenylbutan-2-yl]-1H-indole-4-carboxamide
CID 158140159
1-(1,3-benzodioxol-5-yl)-3-methylbutan-2-one;2-tert-butyl-1H-indole;3-tert-butyl-N-propan-2-ylbenzamide;tert-butyl 2-propan-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate;tert-butyl N-(4-propan-2-ylphenyl)carbamate;1,2-difluoro-4-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;N-(3-methoxyphenyl)-2-methylpropanamide;3-methyl-1-(2-methylindazol-6-yl)butan-2-one;3-methyl-1-(2-phenoxyphenyl)butan-2-one;1-(2-methylpropyl)-4-propan-2-ylpyrazole;1-(1-phenylethyl)-4-propan-2-ylpyrazole;2-propan-2-yl-1-propylindole
CID 158283202
N-[3-(4-acetylphenyl)-1H-indazol-5-yl]-2-(3,4-dimethoxyphenyl)acetamide;N-[3-(4-acetylphenyl)-1H-indazol-5-yl]-2-pyridin-2-ylacetamide;N-[3-(1-benzofuran-2-yl)-1H-indazol-5-yl]-2-hydroxy-2-phenylacetamide;N-[3-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-3-methoxypropanamide;N-(3-naphthalen-2-yl-1H-indazol-5-yl)-4-oxopentanamide
CID 158726615
N-(cyanomethyl)-3-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-3-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-4-methoxy-N-(pyridin-3-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide
CID 159117600
N-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]thiophene-2-carboxamide;N-[1-(4-hydroxyphenyl)-4-isoquinolin-5-yl-3-oxobutan-2-yl]thiophene-2-carboxamide;N-[1-(4-hydroxyphenyl)-4-(2-methoxyphenyl)-3-oxobutan-2-yl]thiophene-2-carboxamide;N-[4-(1H-indazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(2-methoxy-3-pyridinyl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-(3-oxo-1-phenyl-4-phthalazin-5-ylbutan-2-yl)benzamide
CID 159125999
N-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]thiophene-2-carboxamide;N-[1-(4-hydroxyphenyl)-4-(1H-indol-7-yl)-3-oxobutan-2-yl]benzamide;N-[4-(1H-indazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indazol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indol-7-yl)-3-oxo-1-phenylbutan-2-yl]thiophene-2-carboxamide;N-[4-(2-methoxy-3-pyridinyl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-(3-oxo-1-phenyl-4-phthalazin-5-ylbutan-2-yl)benzamide
CID 159629140
3-acetyl-N-[3-[[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1H-indazol-6-yl]-methylamino]phenyl]benzamide;N-[3-[[3-(1H-indol-2-yl)-1H-indazol-6-yl]oxy]phenyl]-3-methylbenzamide;5-methyl-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]-1H-pyrazole-3-carboxamide;N-[3-[3-[(E)-2-(2-methyl-1,3-thiazol-4-yl)ethenyl]-1H-indazole-6-carbonyl]phenyl]benzamide;N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]-1H-indole-4-carboxamide;N-propan-2-yloxy-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide;N-[3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide;N-[3-[[3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide
CID 160802022
3-acetyl-N-[3-[[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1H-indazol-6-yl]-methylamino]phenyl]benzamide;N-[3-[[3-(1H-indol-2-yl)-1H-indazol-6-yl]oxy]phenyl]-3-methylbenzamide;5-methyl-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]-1H-pyrazole-3-carboxamide;N-[3-[3-[(E)-2-(2-methyl-1,3-thiazol-4-yl)ethenyl]-4,5-dihydro-1H-indazole-6-carbonyl]phenyl]benzamide;N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]-1H-indole-4-carboxamide;N-propan-2-yloxy-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide;N-[3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide;N-[3-[[3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide
CID 160856074
3-acetyl-N-[3-[[3-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1H-indazol-6-yl]-methylamino]phenyl]benzamide;2-ethyl-5-methyl-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]pyrazole-3-carboxamide;N-[3-[[3-(1H-indol-2-yl)-1H-indazol-6-yl]oxy]phenyl]-3-methylbenzamide;methane;5-methyl-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]-1H-pyrazole-3-carboxamide;N-[3-[3-[(E)-2-(2-methyl-1,3-thiazol-4-yl)ethenyl]-1H-indazole-6-carbonyl]phenyl]benzamide;N-[3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide;N-[3-[[3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide;hydrochloride
CID 160919968
N-(cyclopropylmethyl)-3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-N-(furan-3-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-(pyrazin-2-ylmethyl)-2H-indazole-5-carboxamide;3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxy-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide
CID 160930199

Frequently Asked Questions

What is the IUPAC name of 1-(3-acetylphenyl)-2-[3-[[1-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3H-isoindol-5-yl]-methylamino]phenyl]ethanone;1-(2-ethyl-5-methylpyrazol-3-yl)-2-[3-[1-[(E)-2-pyridin-2-ylethenyl]-3H-isoindole-5-carbonyl]phenyl]ethanone;2-[3-[[1-(1H-inden-2-yl)-3H-isoindol-5-yl]oxy]phenyl]-1-(3-methylphenyl)ethanone;1-phenyl-2-[3-[1-[(E)-pyrrol-1-yliminomethyl]-3H-isoindole-5-carbonyl]phenyl]ethanone;N-[3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide;N-[3-[[3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide;hydrochloride?
The IUPAC name of 1-(3-acetylphenyl)-2-[3-[[1-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3H-isoindol-5-yl]-methylamino]phenyl]ethanone;1-(2-ethyl-5-methylpyrazol-3-yl)-2-[3-[1-[(E)-2-pyridin-2-ylethenyl]-3H-isoindole-5-carbonyl]phenyl]ethanone;2-[3-[[1-(1H-inden-2-yl)-3H-isoindol-5-yl]oxy]phenyl]-1-(3-methylphenyl)ethanone;1-phenyl-2-[3-[1-[(E)-pyrrol-1-yliminomethyl]-3H-isoindole-5-carbonyl]phenyl]ethanone;N-[3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide;N-[3-[[3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide;hydrochloride (CID 172938390) is 1-(3-acetylphenyl)-2-[3-[[1-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3H-isoindol-5-yl]-methylamino]phenyl]ethanone;1-(2-ethyl-5-methylpyrazol-3-yl)-2-[3-[1-[(E)-2-pyridin-2-ylethenyl]-3H-isoindole-5-carbonyl]phenyl]ethanone;2-[3-[[1-(1H-inden-2-yl)-3H-isoindol-5-yl]oxy]phenyl]-1-(3-methylphenyl)ethanone;1-phenyl-2-[3-[1-[(E)-pyrrol-1-yliminomethyl]-3H-isoindole-5-carbonyl]phenyl]ethanone;N-[3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide;N-[3-[[3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide;hydrochloride.
What is the SMILES notation for 1-(3-acetylphenyl)-2-[3-[[1-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3H-isoindol-5-yl]-methylamino]phenyl]ethanone;1-(2-ethyl-5-methylpyrazol-3-yl)-2-[3-[1-[(E)-2-pyridin-2-ylethenyl]-3H-isoindole-5-carbonyl]phenyl]ethanone;2-[3-[[1-(1H-inden-2-yl)-3H-isoindol-5-yl]oxy]phenyl]-1-(3-methylphenyl)ethanone;1-phenyl-2-[3-[1-[(E)-pyrrol-1-yliminomethyl]-3H-isoindole-5-carbonyl]phenyl]ethanone;N-[3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide;N-[3-[[3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide;hydrochloride?
The canonical SMILES for 1-(3-acetylphenyl)-2-[3-[[1-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3H-isoindol-5-yl]-methylamino]phenyl]ethanone;1-(2-ethyl-5-methylpyrazol-3-yl)-2-[3-[1-[(E)-2-pyridin-2-ylethenyl]-3H-isoindole-5-carbonyl]phenyl]ethanone;2-[3-[[1-(1H-inden-2-yl)-3H-isoindol-5-yl]oxy]phenyl]-1-(3-methylphenyl)ethanone;1-phenyl-2-[3-[1-[(E)-pyrrol-1-yliminomethyl]-3H-isoindole-5-carbonyl]phenyl]ethanone;N-[3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide;N-[3-[[3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide;hydrochloride is CC(=O)c1cccc(C(=O)Cc2cccc(N(C)c3ccc4c(c3)CN=C4/C=C/c3ccc4c(c3)OCO4)c2)c1.CCn1nc(C)cc1C(=O)Cc1cccc(C(=O)c2ccc3c(c2)CN=C3/C=C/c2ccccn2)c1.Cc1cccc(C(=O)Cc2cccc(Oc3ccc4c(c3)CN=C4C3=Cc4ccccc4C3)c2)c1.Cl.O=C(Cc1cccc(C(=O)c2ccc3c(c2)CN=C3/C=N/n2cccc2)c1)c1ccccc1.O=C(Nc1cccc(Oc2ccc3c(/C=C/c4ccccn4)n[nH]c3c2)c1)c1ccccc1.O=C(Nc1cccc(Oc2ccc3c(/C=C/c4cccs4)n[nH]c3c2)c1)c1ccccc1.
What is the InChIKey of 1-(3-acetylphenyl)-2-[3-[[1-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3H-isoindol-5-yl]-methylamino]phenyl]ethanone;1-(2-ethyl-5-methylpyrazol-3-yl)-2-[3-[1-[(E)-2-pyridin-2-ylethenyl]-3H-isoindole-5-carbonyl]phenyl]ethanone;2-[3-[[1-(1H-inden-2-yl)-3H-isoindol-5-yl]oxy]phenyl]-1-(3-methylphenyl)ethanone;1-phenyl-2-[3-[1-[(E)-pyrrol-1-yliminomethyl]-3H-isoindole-5-carbonyl]phenyl]ethanone;N-[3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide;N-[3-[[3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide;hydrochloride?
The InChIKey is SXOCWWNAXDNJHR-AXHBCTEFSA-N. The full InChI is InChI=1S/C34H28N2O4.C32H25NO2.C30H26N4O2.C28H21N3O2.C27H20N4O2.C26H19N3O2S.ClH/c1-22(37)25-6-4-7-26(18-25)32(38)16-24-5-3-8-28(15-24)36(2)29-11-12-30-27(19-29)20-35-31(30)13-9-23-10-14-33-34(17-23)40-21-39-33;1-21-6-4-10-25(14-21)31(34)16-22-7-5-11-28(15-22)35-29-12-13-30-27(19-29)20-33-32(30)26-17-23-8-2-3-9-24(23)18-26;1-3-34-28(15-20(2)33-34)29(35)17-21-7-6-8-22(16-21)30(36)23-10-12-26-24(18-23)19-32-27(26)13-11-25-9-4-5-14-31-25;32-27(21-8-2-1-3-9-21)16-20-7-6-10-22(15-20)28(33)23-11-12-25-24(17-23)18-29-26(25)19-30-31-13-4-5-14-31;32-27(19-7-2-1-3-8-19)29-21-10-6-11-22(17-21)33-23-13-14-24-25(30-31-26(24)18-23)15-12-20-9-4-5-16-28-20;30-26(18-6-2-1-3-7-18)27-19-8-4-9-20(16-19)31-21-11-13-23-24(28-29-25(23)17-21)14-12-22-10-5-15-32-22;/h3-15,17-19H,16,20-21H2,1-2H3;2-15,17,19H,16,18,20H2,1H3;4-16,18H,3,17,19H2,1-2H3;1-15,17,19H,16,18H2;1-18H,(H,29,32)(H,30,31);1-17H,(H,27,30)(H,28,29);1H/b13-9+;;13-11+;30-19+;15-12+;14-12+;.
What are the key properties of 1-(3-acetylphenyl)-2-[3-[[1-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3H-isoindol-5-yl]-methylamino]phenyl]ethanone;1-(2-ethyl-5-methylpyrazol-3-yl)-2-[3-[1-[(E)-2-pyridin-2-ylethenyl]-3H-isoindole-5-carbonyl]phenyl]ethanone;2-[3-[[1-(1H-inden-2-yl)-3H-isoindol-5-yl]oxy]phenyl]-1-(3-methylphenyl)ethanone;1-phenyl-2-[3-[1-[(E)-pyrrol-1-yliminomethyl]-3H-isoindole-5-carbonyl]phenyl]ethanone;N-[3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide;N-[3-[[3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide;hydrochloride?
1-(3-acetylphenyl)-2-[3-[[1-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3H-isoindol-5-yl]-methylamino]phenyl]ethanone;1-(2-ethyl-5-methylpyrazol-3-yl)-2-[3-[1-[(E)-2-pyridin-2-ylethenyl]-3H-isoindole-5-carbonyl]phenyl]ethanone;2-[3-[[1-(1H-inden-2-yl)-3H-isoindol-5-yl]oxy]phenyl]-1-(3-methylphenyl)ethanone;1-phenyl-2-[3-[1-[(E)-pyrrol-1-yliminomethyl]-3H-isoindole-5-carbonyl]phenyl]ethanone;N-[3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide;N-[3-[[3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide;hydrochloride has a molecular weight of 2796.69 g/mol, XLogP of 37.68, 41 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetylphenyl)-2-[3-[[1-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3H-isoindol-5-yl]-methylamino]phenyl]ethanone;1-(2-ethyl-5-methylpyrazol-3-yl)-2-[3-[1-[(E)-2-pyridin-2-ylethenyl]-3H-isoindole-5-carbonyl]phenyl]ethanone;2-[3-[[1-(1H-inden-2-yl)-3H-isoindol-5-yl]oxy]phenyl]-1-(3-methylphenyl)ethanone;1-phenyl-2-[3-[1-[(E)-pyrrol-1-yliminomethyl]-3H-isoindole-5-carbonyl]phenyl]ethanone;N-[3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide;N-[3-[[3-[(E)-2-thiophen-2-ylethenyl]-1H-indazol-6-yl]oxy]phenyl]benzamide;hydrochloride is sourced from PubChem (CID 172938390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).