5-[2-ethoxy-4-[[4-(fluoromethyl)-1H-indazol-7-yl]methyl-methylcarbamoyl]phenyl]-2-fluoro-N-methylbenzamide;7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-N,N-dimethyl-2H-indazole-3-carboxamide;7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-2H-indazole-3-carboxylic acid;7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-N-methyl-2H-indazole-3-carboxamide

C105H100F5N15O13 — CID 167552624

IUPAC5-[2-ethoxy-4-[[4-(fluoromethyl)-1H-indazol-7-yl]methyl-methylcarbamoyl]phenyl]-2-fluoro-N-methylbenzamide;7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-N,N-dimethyl-2H-indazole-3-carboxamide;7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-2H-indazole-3-carboxylic acid;7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-N-methyl-2H-indazole-3-carboxamide
SMILESCCOc1cc(C(=O)N(C)Cc2ccc(CF)c3cn[nH]c23)ccc1-c1ccc(F)c(C(=O)NC)c1.CCOc1cc(C(=O)N(C)Cc2cccc3c(C(=O)N(C)C)[nH]nc23)ccc1-c1cccc(F)c1.CCOc1cc(C(=O)N(C)Cc2cccc3c(C(=O)NC)[nH]nc23)ccc1-c1cccc(F)c1.CCOc1cc(C(=O)N(C)Cc2cccc3c(C(=O)O)[nH]nc23)ccc1-c1cccc(F)c1
InChIInChI=1S/C27H26F2N4O3.C27H27FN4O3.C26H25FN4O3.C25H22FN3O4/c1-4-36-24-12-17(7-9-20(24)16-8-10-23(29)21(11-16)26(34)30-2)27(35)33(3)15-19-6-5-18(13-28)22-14-31-32-25(19)22;1-5-35-23-15-18(12-13-21(23)17-8-6-10-20(28)14-17)26(33)32(4)16-19-9-7-11-22-24(19)29-30-25(22)27(34)31(2)3;1-4-34-22-14-17(11-12-20(22)16-7-5-9-19(27)13-16)26(33)31(3)15-18-8-6-10-21-23(18)29-30-24(21)25(32)28-2;1-3-33-21-13-16(10-11-19(21)15-6-4-8-18(26)12-15)24(30)29(2)14-17-7-5-9-20-22(17)27-28-23(20)25(31)32/h5-12,14H,4,13,15H2,1-3H3,(H,30,34)(H,31,32);6-15H,5,16H2,1-4H3,(H,29,30);5-14H,4,15H2,1-3H3,(H,28,32)(H,29,30);4-13H,3,14H2,1-2H3,(H,27,28)(H,31,32)
InChIKeyCPHCMLFGABDXSC-UHFFFAOYSA-N
MW1875.04 g/mol
LogP18.75
Rot. Bonds29

About 5-[2-ethoxy-4-[[4-(fluoromethyl)-1H-indazol-7-yl]methyl-methylcarbamoyl]phenyl]-2-fluoro-N-methylbenzamide;7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-N,N-dimethyl-2H-indazole-3-carboxamide;7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-2H-indazole-3-carboxylic acid;7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-N-methyl-2H-indazole-3-carboxamide

5-[2-ethoxy-4-[[4-(fluoromethyl)-1H-indazol-7-yl]methyl-methylcarbamoyl]phenyl]-2-fluoro-N-methylbenzamide;7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-N,N-dimethyl-2H-indazole-3-carboxamide;7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-2H-indazole-3-carboxylic acid;7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-N-methyl-2H-indazole-3-carboxamide (PubChem CID 167552624) has the molecular formula C105H100F5N15O13 and a molecular weight of 1875.04 g/mol. Its IUPAC name is 5-[2-ethoxy-4-[[4-(fluoromethyl)-1H-indazol-7-yl]methyl-methylcarbamoyl]phenyl]-2-fluoro-N-methylbenzamide;7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-N,N-dimethyl-2H-indazole-3-carboxamide;7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-2H-indazole-3-carboxylic acid;7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-N-methyl-2H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-[2-ethoxy-4-[[4-(fluoromethyl)-1H-indazol-7-yl]methyl-methylcarbamoyl]phenyl]-2-fluoro-N-methylbenzamide;7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-N,N-dimethyl-2H-indazole-3-carboxamide;7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-2H-indazole-3-carboxylic acid;7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-N-methyl-2H-indazole-3-carboxamide
PubChem CID167552624
Molecular FormulaC105H100F5N15O13
Molecular Weight1875.04 g/mol
Exact Mass1873.75
IUPAC Name5-[2-ethoxy-4-[[4-(fluoromethyl)-1H-indazol-7-yl]methyl-methylcarbamoyl]phenyl]-2-fluoro-N-methylbenzamide;7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-N,N-dimethyl-2H-indazole-3-carboxamide;7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-2H-indazole-3-carboxylic acid;7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-N-methyl-2H-indazole-3-carboxamide
SMILESCCOc1cc(C(=O)N(C)Cc2ccc(CF)c3cn[nH]c23)ccc1-c1ccc(F)c(C(=O)NC)c1.CCOc1cc(C(=O)N(C)Cc2cccc3c(C(=O)N(C)C)[nH]nc23)ccc1-c1cccc(F)c1.CCOc1cc(C(=O)N(C)Cc2cccc3c(C(=O)NC)[nH]nc23)ccc1-c1cccc(F)c1.CCOc1cc(C(=O)N(C)Cc2cccc3c(C(=O)O)[nH]nc23)ccc1-c1cccc(F)c1
InChIInChI=1S/C27H26F2N4O3.C27H27FN4O3.C26H25FN4O3.C25H22FN3O4/c1-4-36-24-12-17(7-9-20(24)16-8-10-23(29)21(11-16)26(34)30-2)27(35)33(3)15-19-6-5-18(13-28)22-14-31-32-25(19)22;1-5-35-23-15-18(12-13-21(23)17-8-6-10-20(28)14-17)26(33)32(4)16-19-9-7-11-22-24(19)29-30-25(22)27(34)31(2)3;1-4-34-22-14-17(11-12-20(22)16-7-5-9-19(27)13-16)26(33)31(3)15-18-8-6-10-21-23(18)29-30-24(21)25(32)28-2;1-3-33-21-13-16(10-11-19(21)15-6-4-8-18(26)12-15)24(30)29(2)14-17-7-5-9-20-22(17)27-28-23(20)25(31)32/h5-12,14H,4,13,15H2,1-3H3,(H,30,34)(H,31,32);6-15H,5,16H2,1-4H3,(H,29,30);5-14H,4,15H2,1-3H3,(H,28,32)(H,29,30);4-13H,3,14H2,1-2H3,(H,27,28)(H,31,32)
InChIKeyCPHCMLFGABDXSC-UHFFFAOYSA-N
XLogP18.75
TPSA348.69 Ų
H-Bond Donors7
H-Bond Acceptors16
Rotatable Bonds29
Heavy Atoms138
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001875.04
LogP ≤ 518.75
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1016

Analyze 5-[2-ethoxy-4-[[4-(fluoromethyl)-1H-indazol-7-yl]methyl-methylcarbamoyl]phenyl]-2-fluoro-N-methylbenzamide;7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-N,N-dimethyl-2H-indazole-3-carboxamide;7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-2H-indazole-3-carboxylic acid;7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-N-methyl-2H-indazole-3-carboxamide with MolForge

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Related Compounds

7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-N-methyl-1H-indazole-4-carboxamide
CID 165385069
magnesium;carbanide;bis(1-(1H-indazol-7-yl)ethanamine);N-[1-(1H-indazol-7-yl)ethyl]-2-methylpropane-2-sulfinamide;N-[(1R)-1-(1H-indazol-7-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[1-(1H-indazol-7-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-(1H-indazol-7-ylmethylidene)-2-methylpropane-2-sulfinamide;methyl thiohypofluorite;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid;bromide
CID 161054921
7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-1H-indazole-4-carboxylic acid
CID 165385087
5-[2-ethoxy-4-[[4-(fluoromethyl)-1H-indazol-7-yl]methyl-methylcarbamoyl]phenyl]-2-fluoro-N-methylbenzamide
CID 165385238
7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-2H-indazole-3-carboxylic acid
CID 165385349
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
magnesium;carbanide;bis(1-(1H-indazol-7-yl)ethanamine);N-[1-(1H-indazol-7-yl)ethyl]-2-methylpropane-2-sulfinamide;N-[(1R)-1-(1H-indazol-7-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[(1S)-1-(1H-indazol-7-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-[1-(1H-indazol-7-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;N-(1H-indazol-7-ylmethylidene)-2-methylpropane-2-sulfinamide;methyl thiohypofluorite;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid;bromide
CID 167591724
3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide;3-ethoxy-N-(1H-indazol-6-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide;3-ethoxy-4-(trifluoromethyl)benzoic acid;ethyl 3-ethoxy-4-(trifluoromethyl)benzoate;3-hydroxy-4-(trifluoromethyl)benzoic acid;1-(1H-indazol-5-yl)-N-methylmethanamine;1-(1H-indazol-6-yl)-N-methylmethanamine
CID 167625644
3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methyl-4-(2H-pyrrol-3-yl)benzamide;3-ethoxy-N-(1H-indazol-6-ylmethyl)-N-methyl-4-(2H-pyrrol-3-yl)benzamide;3-ethoxy-N-(1H-indazol-5-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide
CID 167639007
3-ethoxy-4-(3-fluorophenyl)-N-[[4-(hydroxymethyl)-1H-indazol-7-yl]methyl]-N-methylbenzamide
CID 171106780
5-ethoxy-2-[[[7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-1H-indazol-5-yl]methylamino]methyl]-4-(3-fluorophenyl)-N-methyl-N-[[4-(methylaminomethyl)-1H-indazol-7-yl]methyl]benzamide
CID 171106793
[7-[[[5-ethoxy-2-[[[7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-1H-indazol-5-yl]methyl-methylamino]methyl]-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-1H-indazol-5-yl] acetate
CID 171106821

Frequently Asked Questions

What is the IUPAC name of 5-[2-ethoxy-4-[[4-(fluoromethyl)-1H-indazol-7-yl]methyl-methylcarbamoyl]phenyl]-2-fluoro-N-methylbenzamide;7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-N,N-dimethyl-2H-indazole-3-carboxamide;7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-2H-indazole-3-carboxylic acid;7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-N-methyl-2H-indazole-3-carboxamide?
The IUPAC name of 5-[2-ethoxy-4-[[4-(fluoromethyl)-1H-indazol-7-yl]methyl-methylcarbamoyl]phenyl]-2-fluoro-N-methylbenzamide;7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-N,N-dimethyl-2H-indazole-3-carboxamide;7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-2H-indazole-3-carboxylic acid;7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-N-methyl-2H-indazole-3-carboxamide (CID 167552624) is 5-[2-ethoxy-4-[[4-(fluoromethyl)-1H-indazol-7-yl]methyl-methylcarbamoyl]phenyl]-2-fluoro-N-methylbenzamide;7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-N,N-dimethyl-2H-indazole-3-carboxamide;7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-2H-indazole-3-carboxylic acid;7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-N-methyl-2H-indazole-3-carboxamide.
What is the SMILES notation for 5-[2-ethoxy-4-[[4-(fluoromethyl)-1H-indazol-7-yl]methyl-methylcarbamoyl]phenyl]-2-fluoro-N-methylbenzamide;7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-N,N-dimethyl-2H-indazole-3-carboxamide;7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-2H-indazole-3-carboxylic acid;7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-N-methyl-2H-indazole-3-carboxamide?
The canonical SMILES for 5-[2-ethoxy-4-[[4-(fluoromethyl)-1H-indazol-7-yl]methyl-methylcarbamoyl]phenyl]-2-fluoro-N-methylbenzamide;7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-N,N-dimethyl-2H-indazole-3-carboxamide;7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-2H-indazole-3-carboxylic acid;7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-N-methyl-2H-indazole-3-carboxamide is CCOc1cc(C(=O)N(C)Cc2ccc(CF)c3cn[nH]c23)ccc1-c1ccc(F)c(C(=O)NC)c1.CCOc1cc(C(=O)N(C)Cc2cccc3c(C(=O)N(C)C)[nH]nc23)ccc1-c1cccc(F)c1.CCOc1cc(C(=O)N(C)Cc2cccc3c(C(=O)NC)[nH]nc23)ccc1-c1cccc(F)c1.CCOc1cc(C(=O)N(C)Cc2cccc3c(C(=O)O)[nH]nc23)ccc1-c1cccc(F)c1.
What is the InChIKey of 5-[2-ethoxy-4-[[4-(fluoromethyl)-1H-indazol-7-yl]methyl-methylcarbamoyl]phenyl]-2-fluoro-N-methylbenzamide;7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-N,N-dimethyl-2H-indazole-3-carboxamide;7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-2H-indazole-3-carboxylic acid;7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-N-methyl-2H-indazole-3-carboxamide?
The InChIKey is CPHCMLFGABDXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26F2N4O3.C27H27FN4O3.C26H25FN4O3.C25H22FN3O4/c1-4-36-24-12-17(7-9-20(24)16-8-10-23(29)21(11-16)26(34)30-2)27(35)33(3)15-19-6-5-18(13-28)22-14-31-32-25(19)22;1-5-35-23-15-18(12-13-21(23)17-8-6-10-20(28)14-17)26(33)32(4)16-19-9-7-11-22-24(19)29-30-25(22)27(34)31(2)3;1-4-34-22-14-17(11-12-20(22)16-7-5-9-19(27)13-16)26(33)31(3)15-18-8-6-10-21-23(18)29-30-24(21)25(32)28-2;1-3-33-21-13-16(10-11-19(21)15-6-4-8-18(26)12-15)24(30)29(2)14-17-7-5-9-20-22(17)27-28-23(20)25(31)32/h5-12,14H,4,13,15H2,1-3H3,(H,30,34)(H,31,32);6-15H,5,16H2,1-4H3,(H,29,30);5-14H,4,15H2,1-3H3,(H,28,32)(H,29,30);4-13H,3,14H2,1-2H3,(H,27,28)(H,31,32).
What are the key properties of 5-[2-ethoxy-4-[[4-(fluoromethyl)-1H-indazol-7-yl]methyl-methylcarbamoyl]phenyl]-2-fluoro-N-methylbenzamide;7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-N,N-dimethyl-2H-indazole-3-carboxamide;7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-2H-indazole-3-carboxylic acid;7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-N-methyl-2H-indazole-3-carboxamide?
5-[2-ethoxy-4-[[4-(fluoromethyl)-1H-indazol-7-yl]methyl-methylcarbamoyl]phenyl]-2-fluoro-N-methylbenzamide;7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-N,N-dimethyl-2H-indazole-3-carboxamide;7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-2H-indazole-3-carboxylic acid;7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-N-methyl-2H-indazole-3-carboxamide has a molecular weight of 1875.04 g/mol, XLogP of 18.75, 29 rotatable bonds, 7 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-ethoxy-4-[[4-(fluoromethyl)-1H-indazol-7-yl]methyl-methylcarbamoyl]phenyl]-2-fluoro-N-methylbenzamide;7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-N,N-dimethyl-2H-indazole-3-carboxamide;7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-2H-indazole-3-carboxylic acid;7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-N-methyl-2H-indazole-3-carboxamide is sourced from PubChem (CID 167552624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).