3-ethoxy-4-[4-fluoro-3-(prop-2-enoylamino)phenyl]-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;3-ethoxy-N-[(1R)-1-(1H-indazol-7-yl)ethyl]-N-methyl-4-phenylbenzamide;2-fluoro-4-[4-fluoro-3-(methylcarbamoyl)phenyl]-N-(1H-indazol-7-ylmethyl)-5-methoxy-N-methylbenzamide;N-(1H-indazol-7-ylmethyl)-3-methoxy-N-methyl-4-[3-(methylcarbamoyl)-5-(trifluoromethyl)phenyl]benzamide

C103H95F6N15O11 — CID 167547707

IUPAC3-ethoxy-4-[4-fluoro-3-(prop-2-enoylamino)phenyl]-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;3-ethoxy-N-[(1R)-1-(1H-indazol-7-yl)ethyl]-N-methyl-4-phenylbenzamide;2-fluoro-4-[4-fluoro-3-(methylcarbamoyl)phenyl]-N-(1H-indazol-7-ylmethyl)-5-methoxy-N-methylbenzamide;N-(1H-indazol-7-ylmethyl)-3-methoxy-N-methyl-4-[3-(methylcarbamoyl)-5-(trifluoromethyl)phenyl]benzamide
SMILESC=CC(=O)Nc1cc(-c2ccc(C(=O)N(C)Cc3cccc4cn[nH]c34)cc2OCC)ccc1F.CCOc1cc(C(=O)N(C)[C@H](C)c2cccc3cn[nH]c23)ccc1-c1ccccc1.CNC(=O)c1cc(-c2cc(F)c(C(=O)N(C)Cc3cccc4cn[nH]c34)cc2OC)ccc1F.CNC(=O)c1cc(-c2ccc(C(=O)N(C)Cc3cccc4cn[nH]c34)cc2OC)cc(C(F)(F)F)c1
InChIInChI=1S/C27H25FN4O3.C26H23F3N4O3.C25H22F2N4O3.C25H25N3O2/c1-4-25(33)30-23-13-17(10-12-22(23)28)21-11-9-18(14-24(21)35-5-2)27(34)32(3)16-20-8-6-7-19-15-29-31-26(19)20;1-30-24(34)19-9-18(10-20(11-19)26(27,28)29)21-8-7-15(12-22(21)36-3)25(35)33(2)14-17-6-4-5-16-13-31-32-23(16)17;1-28-24(32)18-9-14(7-8-20(18)26)17-10-21(27)19(11-22(17)34-3)25(33)31(2)13-16-6-4-5-15-12-29-30-23(15)16;1-4-30-23-15-19(13-14-22(23)18-9-6-5-7-10-18)25(29)28(3)17(2)21-12-8-11-20-16-26-27-24(20)21/h4,6-15H,1,5,16H2,2-3H3,(H,29,31)(H,30,33);4-13H,14H2,1-3H3,(H,30,34)(H,31,32);4-12H,13H2,1-3H3,(H,28,32)(H,29,30);5-17H,4H2,1-3H3,(H,26,27)/t;;;17-/m...1/s1
InChIKeyBZTKBSPPMLOJRB-SFXRAUSLSA-N
MW1832.97 g/mol
LogP19.66
Rot. Bonds26

About 3-ethoxy-4-[4-fluoro-3-(prop-2-enoylamino)phenyl]-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;3-ethoxy-N-[(1R)-1-(1H-indazol-7-yl)ethyl]-N-methyl-4-phenylbenzamide;2-fluoro-4-[4-fluoro-3-(methylcarbamoyl)phenyl]-N-(1H-indazol-7-ylmethyl)-5-methoxy-N-methylbenzamide;N-(1H-indazol-7-ylmethyl)-3-methoxy-N-methyl-4-[3-(methylcarbamoyl)-5-(trifluoromethyl)phenyl]benzamide

3-ethoxy-4-[4-fluoro-3-(prop-2-enoylamino)phenyl]-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;3-ethoxy-N-[(1R)-1-(1H-indazol-7-yl)ethyl]-N-methyl-4-phenylbenzamide;2-fluoro-4-[4-fluoro-3-(methylcarbamoyl)phenyl]-N-(1H-indazol-7-ylmethyl)-5-methoxy-N-methylbenzamide;N-(1H-indazol-7-ylmethyl)-3-methoxy-N-methyl-4-[3-(methylcarbamoyl)-5-(trifluoromethyl)phenyl]benzamide (PubChem CID 167547707) has the molecular formula C103H95F6N15O11 and a molecular weight of 1832.97 g/mol. Its IUPAC name is 3-ethoxy-4-[4-fluoro-3-(prop-2-enoylamino)phenyl]-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;3-ethoxy-N-[(1R)-1-(1H-indazol-7-yl)ethyl]-N-methyl-4-phenylbenzamide;2-fluoro-4-[4-fluoro-3-(methylcarbamoyl)phenyl]-N-(1H-indazol-7-ylmethyl)-5-methoxy-N-methylbenzamide;N-(1H-indazol-7-ylmethyl)-3-methoxy-N-methyl-4-[3-(methylcarbamoyl)-5-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-ethoxy-4-[4-fluoro-3-(prop-2-enoylamino)phenyl]-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;3-ethoxy-N-[(1R)-1-(1H-indazol-7-yl)ethyl]-N-methyl-4-phenylbenzamide;2-fluoro-4-[4-fluoro-3-(methylcarbamoyl)phenyl]-N-(1H-indazol-7-ylmethyl)-5-methoxy-N-methylbenzamide;N-(1H-indazol-7-ylmethyl)-3-methoxy-N-methyl-4-[3-(methylcarbamoyl)-5-(trifluoromethyl)phenyl]benzamide
PubChem CID167547707
Molecular FormulaC103H95F6N15O11
Molecular Weight1832.97 g/mol
Exact Mass1831.72
IUPAC Name3-ethoxy-4-[4-fluoro-3-(prop-2-enoylamino)phenyl]-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;3-ethoxy-N-[(1R)-1-(1H-indazol-7-yl)ethyl]-N-methyl-4-phenylbenzamide;2-fluoro-4-[4-fluoro-3-(methylcarbamoyl)phenyl]-N-(1H-indazol-7-ylmethyl)-5-methoxy-N-methylbenzamide;N-(1H-indazol-7-ylmethyl)-3-methoxy-N-methyl-4-[3-(methylcarbamoyl)-5-(trifluoromethyl)phenyl]benzamide
SMILESC=CC(=O)Nc1cc(-c2ccc(C(=O)N(C)Cc3cccc4cn[nH]c34)cc2OCC)ccc1F.CCOc1cc(C(=O)N(C)[C@H](C)c2cccc3cn[nH]c23)ccc1-c1ccccc1.CNC(=O)c1cc(-c2cc(F)c(C(=O)N(C)Cc3cccc4cn[nH]c34)cc2OC)ccc1F.CNC(=O)c1cc(-c2ccc(C(=O)N(C)Cc3cccc4cn[nH]c34)cc2OC)cc(C(F)(F)F)c1
InChIInChI=1S/C27H25FN4O3.C26H23F3N4O3.C25H22F2N4O3.C25H25N3O2/c1-4-25(33)30-23-13-17(10-12-22(23)28)21-11-9-18(14-24(21)35-5-2)27(34)32(3)16-20-8-6-7-19-15-29-31-26(19)20;1-30-24(34)19-9-18(10-20(11-19)26(27,28)29)21-8-7-15(12-22(21)36-3)25(35)33(2)14-17-6-4-5-16-13-31-32-23(16)17;1-28-24(32)18-9-14(7-8-20(18)26)17-10-21(27)19(11-22(17)34-3)25(33)31(2)13-16-6-4-5-15-12-29-30-23(15)16;1-4-30-23-15-19(13-14-22(23)18-9-6-5-7-10-18)25(29)28(3)17(2)21-12-8-11-20-16-26-27-24(20)21/h4,6-15H,1,5,16H2,2-3H3,(H,29,31)(H,30,33);4-13H,14H2,1-3H3,(H,30,34)(H,31,32);4-12H,13H2,1-3H3,(H,28,32)(H,29,30);5-17H,4H2,1-3H3,(H,26,27)/t;;;17-/m...1/s1
InChIKeyBZTKBSPPMLOJRB-SFXRAUSLSA-N
XLogP19.66
TPSA320.18 Ų
H-Bond Donors7
H-Bond Acceptors15
Rotatable Bonds26
Heavy Atoms135
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001832.97
LogP ≤ 519.66
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-ethoxy-4-[4-fluoro-3-(prop-2-enoylamino)phenyl]-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;3-ethoxy-N-[(1R)-1-(1H-indazol-7-yl)ethyl]-N-methyl-4-phenylbenzamide;2-fluoro-4-[4-fluoro-3-(methylcarbamoyl)phenyl]-N-(1H-indazol-7-ylmethyl)-5-methoxy-N-methylbenzamide;N-(1H-indazol-7-ylmethyl)-3-methoxy-N-methyl-4-[3-(methylcarbamoyl)-5-(trifluoromethyl)phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-N-methyl-1H-indazole-4-carboxamide
CID 165385069
4-(3-aminophenyl)-3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide
CID 177377823
3-(2,2-difluoroethoxy)-4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide
CID 177377827
3-[(1-methylindazol-6-yl)methyl]-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]-2H-indazole-5-carboxamide
CID 118959811
N-[4-[1-ethyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxy-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxo-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 153540316
1-(4-fluorophenyl)-N-[3-fluoro-4-[[10-(1H-pyrazol-4-yl)-3,4-diazatricyclo[5.3.1.04,11]undeca-1(11),2,7,9-tetraen-9-yl]oxy]phenyl]-2-oxo-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 153540327
1-(4-fluorophenyl)-N-[3-fluoro-4-[[10-(1H-pyrazol-4-yl)-3,4-diazatricyclo[5.3.1.04,11]undeca-1(11),2,7,9-tetraen-9-yl]oxy]phenyl]-6-methoxy-2-oxopyridine-3-carboxamide
CID 153540331
1-(4-fluorophenyl)-N-[3-fluoro-4-[[10-(1H-pyrazol-4-yl)-3,4-diazatricyclo[5.3.1.04,11]undeca-1(11),2,7,9-tetraen-9-yl]oxy]phenyl]-2-oxo-6-propan-2-yloxypyridine-3-carboxamide
CID 153540332
6-ethoxy-1-(4-fluorophenyl)-N-[3-fluoro-4-[[10-(1H-pyrazol-4-yl)-3,4-diazatricyclo[5.3.1.04,11]undeca-1(11),2,7,9-tetraen-9-yl]oxy]phenyl]-2-oxopyridine-3-carboxamide
CID 153540335
6-(difluoromethoxy)-1-(4-fluorophenyl)-N-[3-fluoro-4-[[10-(1H-pyrazol-4-yl)-3,4-diazatricyclo[5.3.1.04,11]undeca-1(11),2,7,9-tetraen-9-yl]oxy]phenyl]-2-oxopyridine-3-carboxamide
CID 153540349
N-[3-fluoro-4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-5-(4-fluorophenyl)-6-oxo-2,3-dihydrofuro[3,2-c]pyridine-7-carboxamide
CID 156057993
N-[(2,3-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;N-[(3,4-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)indazole-4-carboxamide;1-(4-fluorophenyl)-N-(1-phenylethyl)indazole-4-carboxamide;1-(4-fluorophenyl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]indazole-4-carboxamide;1-(4-fluorophenyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]indazole-4-carboxamide
CID 157846405

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-[4-fluoro-3-(prop-2-enoylamino)phenyl]-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;3-ethoxy-N-[(1R)-1-(1H-indazol-7-yl)ethyl]-N-methyl-4-phenylbenzamide;2-fluoro-4-[4-fluoro-3-(methylcarbamoyl)phenyl]-N-(1H-indazol-7-ylmethyl)-5-methoxy-N-methylbenzamide;N-(1H-indazol-7-ylmethyl)-3-methoxy-N-methyl-4-[3-(methylcarbamoyl)-5-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 3-ethoxy-4-[4-fluoro-3-(prop-2-enoylamino)phenyl]-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;3-ethoxy-N-[(1R)-1-(1H-indazol-7-yl)ethyl]-N-methyl-4-phenylbenzamide;2-fluoro-4-[4-fluoro-3-(methylcarbamoyl)phenyl]-N-(1H-indazol-7-ylmethyl)-5-methoxy-N-methylbenzamide;N-(1H-indazol-7-ylmethyl)-3-methoxy-N-methyl-4-[3-(methylcarbamoyl)-5-(trifluoromethyl)phenyl]benzamide (CID 167547707) is 3-ethoxy-4-[4-fluoro-3-(prop-2-enoylamino)phenyl]-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;3-ethoxy-N-[(1R)-1-(1H-indazol-7-yl)ethyl]-N-methyl-4-phenylbenzamide;2-fluoro-4-[4-fluoro-3-(methylcarbamoyl)phenyl]-N-(1H-indazol-7-ylmethyl)-5-methoxy-N-methylbenzamide;N-(1H-indazol-7-ylmethyl)-3-methoxy-N-methyl-4-[3-(methylcarbamoyl)-5-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 3-ethoxy-4-[4-fluoro-3-(prop-2-enoylamino)phenyl]-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;3-ethoxy-N-[(1R)-1-(1H-indazol-7-yl)ethyl]-N-methyl-4-phenylbenzamide;2-fluoro-4-[4-fluoro-3-(methylcarbamoyl)phenyl]-N-(1H-indazol-7-ylmethyl)-5-methoxy-N-methylbenzamide;N-(1H-indazol-7-ylmethyl)-3-methoxy-N-methyl-4-[3-(methylcarbamoyl)-5-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 3-ethoxy-4-[4-fluoro-3-(prop-2-enoylamino)phenyl]-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;3-ethoxy-N-[(1R)-1-(1H-indazol-7-yl)ethyl]-N-methyl-4-phenylbenzamide;2-fluoro-4-[4-fluoro-3-(methylcarbamoyl)phenyl]-N-(1H-indazol-7-ylmethyl)-5-methoxy-N-methylbenzamide;N-(1H-indazol-7-ylmethyl)-3-methoxy-N-methyl-4-[3-(methylcarbamoyl)-5-(trifluoromethyl)phenyl]benzamide is C=CC(=O)Nc1cc(-c2ccc(C(=O)N(C)Cc3cccc4cn[nH]c34)cc2OCC)ccc1F.CCOc1cc(C(=O)N(C)[C@H](C)c2cccc3cn[nH]c23)ccc1-c1ccccc1.CNC(=O)c1cc(-c2cc(F)c(C(=O)N(C)Cc3cccc4cn[nH]c34)cc2OC)ccc1F.CNC(=O)c1cc(-c2ccc(C(=O)N(C)Cc3cccc4cn[nH]c34)cc2OC)cc(C(F)(F)F)c1.
What is the InChIKey of 3-ethoxy-4-[4-fluoro-3-(prop-2-enoylamino)phenyl]-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;3-ethoxy-N-[(1R)-1-(1H-indazol-7-yl)ethyl]-N-methyl-4-phenylbenzamide;2-fluoro-4-[4-fluoro-3-(methylcarbamoyl)phenyl]-N-(1H-indazol-7-ylmethyl)-5-methoxy-N-methylbenzamide;N-(1H-indazol-7-ylmethyl)-3-methoxy-N-methyl-4-[3-(methylcarbamoyl)-5-(trifluoromethyl)phenyl]benzamide?
The InChIKey is BZTKBSPPMLOJRB-SFXRAUSLSA-N. The full InChI is InChI=1S/C27H25FN4O3.C26H23F3N4O3.C25H22F2N4O3.C25H25N3O2/c1-4-25(33)30-23-13-17(10-12-22(23)28)21-11-9-18(14-24(21)35-5-2)27(34)32(3)16-20-8-6-7-19-15-29-31-26(19)20;1-30-24(34)19-9-18(10-20(11-19)26(27,28)29)21-8-7-15(12-22(21)36-3)25(35)33(2)14-17-6-4-5-16-13-31-32-23(16)17;1-28-24(32)18-9-14(7-8-20(18)26)17-10-21(27)19(11-22(17)34-3)25(33)31(2)13-16-6-4-5-15-12-29-30-23(15)16;1-4-30-23-15-19(13-14-22(23)18-9-6-5-7-10-18)25(29)28(3)17(2)21-12-8-11-20-16-26-27-24(20)21/h4,6-15H,1,5,16H2,2-3H3,(H,29,31)(H,30,33);4-13H,14H2,1-3H3,(H,30,34)(H,31,32);4-12H,13H2,1-3H3,(H,28,32)(H,29,30);5-17H,4H2,1-3H3,(H,26,27)/t;;;17-/m...1/s1.
What are the key properties of 3-ethoxy-4-[4-fluoro-3-(prop-2-enoylamino)phenyl]-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;3-ethoxy-N-[(1R)-1-(1H-indazol-7-yl)ethyl]-N-methyl-4-phenylbenzamide;2-fluoro-4-[4-fluoro-3-(methylcarbamoyl)phenyl]-N-(1H-indazol-7-ylmethyl)-5-methoxy-N-methylbenzamide;N-(1H-indazol-7-ylmethyl)-3-methoxy-N-methyl-4-[3-(methylcarbamoyl)-5-(trifluoromethyl)phenyl]benzamide?
3-ethoxy-4-[4-fluoro-3-(prop-2-enoylamino)phenyl]-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;3-ethoxy-N-[(1R)-1-(1H-indazol-7-yl)ethyl]-N-methyl-4-phenylbenzamide;2-fluoro-4-[4-fluoro-3-(methylcarbamoyl)phenyl]-N-(1H-indazol-7-ylmethyl)-5-methoxy-N-methylbenzamide;N-(1H-indazol-7-ylmethyl)-3-methoxy-N-methyl-4-[3-(methylcarbamoyl)-5-(trifluoromethyl)phenyl]benzamide has a molecular weight of 1832.97 g/mol, XLogP of 19.66, 26 rotatable bonds, 7 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-[4-fluoro-3-(prop-2-enoylamino)phenyl]-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;3-ethoxy-N-[(1R)-1-(1H-indazol-7-yl)ethyl]-N-methyl-4-phenylbenzamide;2-fluoro-4-[4-fluoro-3-(methylcarbamoyl)phenyl]-N-(1H-indazol-7-ylmethyl)-5-methoxy-N-methylbenzamide;N-(1H-indazol-7-ylmethyl)-3-methoxy-N-methyl-4-[3-(methylcarbamoyl)-5-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 167547707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).