1-(acetamidomethyl)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;1-O-tert-butyl 5-O-ethyl 4-(3-amino-3-oxopropoxy)-3-[(E)-2-(4-fluorophenyl)ethenyl]indazole-1,5-dicarboxylate;1-O-tert-butyl 5-O-ethyl 3-[(E)-2-(4-fluorophenyl)ethenyl]-4-[3-(oxan-2-yloxy)propoxy]indazole-1,5-dicarboxylate;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-(3-hydroxypropoxy)-2H-indazole-5-carboxylic acid

C98H102F5N11O19 — CID 159159576

IUPAC1-(acetamidomethyl)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;1-O-tert-butyl 5-O-ethyl 4-(3-amino-3-oxopropoxy)-3-[(E)-2-(4-fluorophenyl)ethenyl]indazole-1,5-dicarboxylate;1-O-tert-butyl 5-O-ethyl 3-[(E)-2-(4-fluorophenyl)ethenyl]-4-[3-(oxan-2-yloxy)propoxy]indazole-1,5-dicarboxylate;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-(3-hydroxypropoxy)-2H-indazole-5-carboxylic acid
SMILESCC(=O)NCC1(C(=O)Nc2cc3c(/C=C/c4ccc(F)cc4)n[nH]c3cc2F)CC1.CCOC(=O)c1ccc2c(c(/C=C/c3ccc(F)cc3)nn2C(=O)OC(C)(C)C)c1OCCC(N)=O.CCOC(=O)c1ccc2c(c(/C=C/c3ccc(F)cc3)nn2C(=O)OC(C)(C)C)c1OCCCOC1CCCCO1.O=C(O)c1ccc2n[nH]c(/C=C/c3ccc(F)cc3)c2c1OCCCO
InChIInChI=1S/C31H37FN2O7.C26H28FN3O6.C22H20F2N4O2.C19H17FN2O4/c1-5-37-29(35)23-15-17-25-27(28(23)40-20-8-19-39-26-9-6-7-18-38-26)24(16-12-21-10-13-22(32)14-11-21)33-34(25)30(36)41-31(2,3)4;1-5-34-24(32)18-11-13-20-22(23(18)35-15-14-21(28)31)19(12-8-16-6-9-17(27)10-7-16)29-30(20)25(33)36-26(2,3)4;1-13(29)25-12-22(8-9-22)21(30)26-20-10-16-18(27-28-19(16)11-17(20)24)7-4-14-2-5-15(23)6-3-14;20-13-5-2-12(3-6-13)4-8-15-17-16(22-21-15)9-7-14(19(24)25)18(17)26-11-1-10-23/h10-17,26H,5-9,18-20H2,1-4H3;6-13H,5,14-15H2,1-4H3,(H2,28,31);2-7,10-11H,8-9,12H2,1H3,(H,25,29)(H,26,30)(H,27,28);2-9,23H,1,10-11H2,(H,21,22)(H,24,25)/b16-12+;12-8+;7-4+;8-4+
InChIKeyKKIBGWUAUDKGOR-ARHVUHKGSA-N
MW1832.94 g/mol
LogP18.38
Rot. Bonds31

About 1-(acetamidomethyl)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;1-O-tert-butyl 5-O-ethyl 4-(3-amino-3-oxopropoxy)-3-[(E)-2-(4-fluorophenyl)ethenyl]indazole-1,5-dicarboxylate;1-O-tert-butyl 5-O-ethyl 3-[(E)-2-(4-fluorophenyl)ethenyl]-4-[3-(oxan-2-yloxy)propoxy]indazole-1,5-dicarboxylate;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-(3-hydroxypropoxy)-2H-indazole-5-carboxylic acid

1-(acetamidomethyl)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;1-O-tert-butyl 5-O-ethyl 4-(3-amino-3-oxopropoxy)-3-[(E)-2-(4-fluorophenyl)ethenyl]indazole-1,5-dicarboxylate;1-O-tert-butyl 5-O-ethyl 3-[(E)-2-(4-fluorophenyl)ethenyl]-4-[3-(oxan-2-yloxy)propoxy]indazole-1,5-dicarboxylate;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-(3-hydroxypropoxy)-2H-indazole-5-carboxylic acid (PubChem CID 159159576) has the molecular formula C98H102F5N11O19 and a molecular weight of 1832.94 g/mol. Its IUPAC name is 1-(acetamidomethyl)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;1-O-tert-butyl 5-O-ethyl 4-(3-amino-3-oxopropoxy)-3-[(E)-2-(4-fluorophenyl)ethenyl]indazole-1,5-dicarboxylate;1-O-tert-butyl 5-O-ethyl 3-[(E)-2-(4-fluorophenyl)ethenyl]-4-[3-(oxan-2-yloxy)propoxy]indazole-1,5-dicarboxylate;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-(3-hydroxypropoxy)-2H-indazole-5-carboxylic acid.

Molecular Properties

Compound Name1-(acetamidomethyl)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;1-O-tert-butyl 5-O-ethyl 4-(3-amino-3-oxopropoxy)-3-[(E)-2-(4-fluorophenyl)ethenyl]indazole-1,5-dicarboxylate;1-O-tert-butyl 5-O-ethyl 3-[(E)-2-(4-fluorophenyl)ethenyl]-4-[3-(oxan-2-yloxy)propoxy]indazole-1,5-dicarboxylate;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-(3-hydroxypropoxy)-2H-indazole-5-carboxylic acid
PubChem CID159159576
Molecular FormulaC98H102F5N11O19
Molecular Weight1832.94 g/mol
Exact Mass1831.73
IUPAC Name1-(acetamidomethyl)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;1-O-tert-butyl 5-O-ethyl 4-(3-amino-3-oxopropoxy)-3-[(E)-2-(4-fluorophenyl)ethenyl]indazole-1,5-dicarboxylate;1-O-tert-butyl 5-O-ethyl 3-[(E)-2-(4-fluorophenyl)ethenyl]-4-[3-(oxan-2-yloxy)propoxy]indazole-1,5-dicarboxylate;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-(3-hydroxypropoxy)-2H-indazole-5-carboxylic acid
SMILESCC(=O)NCC1(C(=O)Nc2cc3c(/C=C/c4ccc(F)cc4)n[nH]c3cc2F)CC1.CCOC(=O)c1ccc2c(c(/C=C/c3ccc(F)cc3)nn2C(=O)OC(C)(C)C)c1OCCC(N)=O.CCOC(=O)c1ccc2c(c(/C=C/c3ccc(F)cc3)nn2C(=O)OC(C)(C)C)c1OCCCOC1CCCCO1.O=C(O)c1ccc2n[nH]c(/C=C/c3ccc(F)cc3)c2c1OCCCO
InChIInChI=1S/C31H37FN2O7.C26H28FN3O6.C22H20F2N4O2.C19H17FN2O4/c1-5-37-29(35)23-15-17-25-27(28(23)40-20-8-19-39-26-9-6-7-18-38-26)24(16-12-21-10-13-22(32)14-11-21)33-34(25)30(36)41-31(2,3)4;1-5-34-24(32)18-11-13-20-22(23(18)35-15-14-21(28)31)19(12-8-16-6-9-17(27)10-7-16)29-30(20)25(33)36-26(2,3)4;1-13(29)25-12-22(8-9-22)21(30)26-20-10-16-18(27-28-19(16)11-17(20)24)7-4-14-2-5-15(23)6-3-14;20-13-5-2-12(3-6-13)4-8-15-17-16(22-21-15)9-7-14(19(24)25)18(17)26-11-1-10-23/h10-17,26H,5-9,18-20H2,1-4H3;6-13H,5,14-15H2,1-4H3,(H2,28,31);2-7,10-11H,8-9,12H2,1H3,(H,25,29)(H,26,30)(H,27,28);2-9,23H,1,10-11H2,(H,21,22)(H,24,25)/b16-12+;12-8+;7-4+;8-4+
InChIKeyKKIBGWUAUDKGOR-ARHVUHKGSA-N
XLogP18.38
TPSA403.17 Ų
H-Bond Donors7
H-Bond Acceptors24
Rotatable Bonds31
Heavy Atoms133
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001832.94
LogP ≤ 518.38
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(acetamidomethyl)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;1-O-tert-butyl 5-O-ethyl 4-(3-amino-3-oxopropoxy)-3-[(E)-2-(4-fluorophenyl)ethenyl]indazole-1,5-dicarboxylate;1-O-tert-butyl 5-O-ethyl 3-[(E)-2-(4-fluorophenyl)ethenyl]-4-[3-(oxan-2-yloxy)propoxy]indazole-1,5-dicarboxylate;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-(3-hydroxypropoxy)-2H-indazole-5-carboxylic acid with MolForge

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Related Compounds

3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(3-hydroxy-3-methylbutyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2S)-2-hydroxy-2-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2R)-2-hydroxy-2-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2S)-2-hydroxypropyl]-4-methoxy-2H-indazole-5-carboxamide
CID 157162028
1-O-tert-butyl 5-O-ethyl 3-[(E)-2-(4-fluorophenyl)ethenyl]-4-(2-hydroxyethoxy)indazole-1,5-dicarboxylate;1-O-tert-butyl 5-O-ethyl 3-[(E)-2-(4-fluorophenyl)ethenyl]-4-hydroxyindazole-1,5-dicarboxylate;1-O-tert-butyl 5-O-ethyl 3-[(E)-2-(4-fluorophenyl)ethenyl]-4-[2-(oxan-2-yloxy)ethoxy]indazole-1,5-dicarboxylate;ethyl 3-[(E)-2-(4-fluorophenyl)ethenyl]-4-hydroxy-2H-indazole-5-carboxylate
CID 157409705
3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;ethyl 3-[(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate;ethyl 4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-indazole-5-carboxylate;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(2-hydroxy-3-morpholin-4-ylpropyl)-4-methoxy-2H-indazole-5-carboxamide;4-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]-2H-indazole-5-carboxylic acid
CID 157967212
N-cyclopropyl-3-[(E)-2-(3-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-fluorophenyl)ethenyl]-4-methoxy-1H-indazole-5-carbonitrile;3-[(E)-2-(3-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(3-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid
CID 158255496
4-(3-amino-3-oxopropoxy)-3-[(E)-2-(4-fluorophenyl)ethenyl]-2H-indazole-5-carboxylic acid;1-O-tert-butyl 5-O-ethyl 4-(2-bromoethoxy)-3-[(E)-2-(4-fluorophenyl)ethenyl]indazole-1,5-dicarboxylate;ethyl 4-(3-amino-3-oxopropoxy)-3-[(E)-2-(4-fluorophenyl)ethenyl]-2H-indazole-5-carboxylate;ethyl 3-[(E)-2-(4-fluorophenyl)ethenyl]-4-(2-morpholin-4-ylethoxy)-2H-indazole-5-carboxylate
CID 158275647
N-[(2S)-1-amino-1-oxopropan-2-yl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-(2-hydroxyethoxy)-2H-indazole-5-carboxamide;N-cyclopropyl-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-hydroxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-(2-hydroxyethoxy)-N-[(1S)-2-hydroxy-1-phenylethyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-hydroxy-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-hydroxy-2H-indazole-5-carboxylic acid
CID 158490296
1-O-tert-butyl 5-O-ethyl 3-[(E)-2-(4-fluorophenyl)ethenyl]-4-(2-hydroxyethoxy)indazole-1,5-dicarboxylate;ethyl 3-[(E)-2-(4-fluorophenyl)ethenyl]-4-(2-hydroxyethoxy)-2H-indazole-5-carboxylate;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-(2-hydroxyethoxy)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-(2-hydroxyethoxy)-2H-indazole-5-carboxylic acid
CID 158667605
N-cyclopropyl-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-hydroxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-hydroxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-hydroxy-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-hydroxy-2H-indazole-5-carboxylic acid
CID 158861969
1-[(dimethylamino)methyl]cyclopropane-1-carboxylic acid;ethyl 1-[(dimethylamino)methyl]cyclopropane-1-carboxylate;ethyl 1-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]cyclopropane-1-carboxylate;ethyl 1-(methylsulfonyloxymethyl)cyclopropane-1-carboxylate;N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(methylaminomethyl)cyclopropane-1-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[(3-oxo-1,2-oxazol-5-yl)methyl]-2H-indazole-5-carboxamide;1-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 159080781
3-[(E)-2-(4-acetylphenyl)ethenyl]-N-cyclopropyl-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-acetylphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid;ethyl 3-[(E)-2-(4-acetylphenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylate;ethyl 3-[(E)-2-(4-acetylphenyl)ethenyl]-4-methoxy-1-methylindazole-5-carboxylate
CID 159495827
3-[(E)-2-(4-acetamidophenyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-3-[(E)-2-[4-(isocyanomethyl)phenyl]ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-[3-(dimethylamino)phenyl]ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide
CID 159572511
N-cyclopropyl-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxylic acid
CID 159586271

Frequently Asked Questions

What is the IUPAC name of 1-(acetamidomethyl)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;1-O-tert-butyl 5-O-ethyl 4-(3-amino-3-oxopropoxy)-3-[(E)-2-(4-fluorophenyl)ethenyl]indazole-1,5-dicarboxylate;1-O-tert-butyl 5-O-ethyl 3-[(E)-2-(4-fluorophenyl)ethenyl]-4-[3-(oxan-2-yloxy)propoxy]indazole-1,5-dicarboxylate;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-(3-hydroxypropoxy)-2H-indazole-5-carboxylic acid?
The IUPAC name of 1-(acetamidomethyl)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;1-O-tert-butyl 5-O-ethyl 4-(3-amino-3-oxopropoxy)-3-[(E)-2-(4-fluorophenyl)ethenyl]indazole-1,5-dicarboxylate;1-O-tert-butyl 5-O-ethyl 3-[(E)-2-(4-fluorophenyl)ethenyl]-4-[3-(oxan-2-yloxy)propoxy]indazole-1,5-dicarboxylate;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-(3-hydroxypropoxy)-2H-indazole-5-carboxylic acid (CID 159159576) is 1-(acetamidomethyl)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;1-O-tert-butyl 5-O-ethyl 4-(3-amino-3-oxopropoxy)-3-[(E)-2-(4-fluorophenyl)ethenyl]indazole-1,5-dicarboxylate;1-O-tert-butyl 5-O-ethyl 3-[(E)-2-(4-fluorophenyl)ethenyl]-4-[3-(oxan-2-yloxy)propoxy]indazole-1,5-dicarboxylate;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-(3-hydroxypropoxy)-2H-indazole-5-carboxylic acid.
What is the SMILES notation for 1-(acetamidomethyl)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;1-O-tert-butyl 5-O-ethyl 4-(3-amino-3-oxopropoxy)-3-[(E)-2-(4-fluorophenyl)ethenyl]indazole-1,5-dicarboxylate;1-O-tert-butyl 5-O-ethyl 3-[(E)-2-(4-fluorophenyl)ethenyl]-4-[3-(oxan-2-yloxy)propoxy]indazole-1,5-dicarboxylate;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-(3-hydroxypropoxy)-2H-indazole-5-carboxylic acid?
The canonical SMILES for 1-(acetamidomethyl)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;1-O-tert-butyl 5-O-ethyl 4-(3-amino-3-oxopropoxy)-3-[(E)-2-(4-fluorophenyl)ethenyl]indazole-1,5-dicarboxylate;1-O-tert-butyl 5-O-ethyl 3-[(E)-2-(4-fluorophenyl)ethenyl]-4-[3-(oxan-2-yloxy)propoxy]indazole-1,5-dicarboxylate;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-(3-hydroxypropoxy)-2H-indazole-5-carboxylic acid is CC(=O)NCC1(C(=O)Nc2cc3c(/C=C/c4ccc(F)cc4)n[nH]c3cc2F)CC1.CCOC(=O)c1ccc2c(c(/C=C/c3ccc(F)cc3)nn2C(=O)OC(C)(C)C)c1OCCC(N)=O.CCOC(=O)c1ccc2c(c(/C=C/c3ccc(F)cc3)nn2C(=O)OC(C)(C)C)c1OCCCOC1CCCCO1.O=C(O)c1ccc2n[nH]c(/C=C/c3ccc(F)cc3)c2c1OCCCO.
What is the InChIKey of 1-(acetamidomethyl)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;1-O-tert-butyl 5-O-ethyl 4-(3-amino-3-oxopropoxy)-3-[(E)-2-(4-fluorophenyl)ethenyl]indazole-1,5-dicarboxylate;1-O-tert-butyl 5-O-ethyl 3-[(E)-2-(4-fluorophenyl)ethenyl]-4-[3-(oxan-2-yloxy)propoxy]indazole-1,5-dicarboxylate;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-(3-hydroxypropoxy)-2H-indazole-5-carboxylic acid?
The InChIKey is KKIBGWUAUDKGOR-ARHVUHKGSA-N. The full InChI is InChI=1S/C31H37FN2O7.C26H28FN3O6.C22H20F2N4O2.C19H17FN2O4/c1-5-37-29(35)23-15-17-25-27(28(23)40-20-8-19-39-26-9-6-7-18-38-26)24(16-12-21-10-13-22(32)14-11-21)33-34(25)30(36)41-31(2,3)4;1-5-34-24(32)18-11-13-20-22(23(18)35-15-14-21(28)31)19(12-8-16-6-9-17(27)10-7-16)29-30(20)25(33)36-26(2,3)4;1-13(29)25-12-22(8-9-22)21(30)26-20-10-16-18(27-28-19(16)11-17(20)24)7-4-14-2-5-15(23)6-3-14;20-13-5-2-12(3-6-13)4-8-15-17-16(22-21-15)9-7-14(19(24)25)18(17)26-11-1-10-23/h10-17,26H,5-9,18-20H2,1-4H3;6-13H,5,14-15H2,1-4H3,(H2,28,31);2-7,10-11H,8-9,12H2,1H3,(H,25,29)(H,26,30)(H,27,28);2-9,23H,1,10-11H2,(H,21,22)(H,24,25)/b16-12+;12-8+;7-4+;8-4+.
What are the key properties of 1-(acetamidomethyl)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;1-O-tert-butyl 5-O-ethyl 4-(3-amino-3-oxopropoxy)-3-[(E)-2-(4-fluorophenyl)ethenyl]indazole-1,5-dicarboxylate;1-O-tert-butyl 5-O-ethyl 3-[(E)-2-(4-fluorophenyl)ethenyl]-4-[3-(oxan-2-yloxy)propoxy]indazole-1,5-dicarboxylate;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-(3-hydroxypropoxy)-2H-indazole-5-carboxylic acid?
1-(acetamidomethyl)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;1-O-tert-butyl 5-O-ethyl 4-(3-amino-3-oxopropoxy)-3-[(E)-2-(4-fluorophenyl)ethenyl]indazole-1,5-dicarboxylate;1-O-tert-butyl 5-O-ethyl 3-[(E)-2-(4-fluorophenyl)ethenyl]-4-[3-(oxan-2-yloxy)propoxy]indazole-1,5-dicarboxylate;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-(3-hydroxypropoxy)-2H-indazole-5-carboxylic acid has a molecular weight of 1832.94 g/mol, XLogP of 18.38, 31 rotatable bonds, 7 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(acetamidomethyl)-N-[6-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]-1H-indazol-5-yl]cyclopropane-1-carboxamide;1-O-tert-butyl 5-O-ethyl 4-(3-amino-3-oxopropoxy)-3-[(E)-2-(4-fluorophenyl)ethenyl]indazole-1,5-dicarboxylate;1-O-tert-butyl 5-O-ethyl 3-[(E)-2-(4-fluorophenyl)ethenyl]-4-[3-(oxan-2-yloxy)propoxy]indazole-1,5-dicarboxylate;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-(3-hydroxypropoxy)-2H-indazole-5-carboxylic acid is sourced from PubChem (CID 159159576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).