3-ethoxy-N-[[1-(fluoromethyl)-3H-isoindol-4-yl]methyl]-4-(3-fluorophenyl)-N-methylbenzamide;7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-N,N-dimethyl-1H-indazole-4-carboxamide;7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-1H-indazole-4-carboxylic acid;7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-N-methyl-1H-indazole-4-carboxamide

C104H98F5N13O12 — CID 167634635

IUPAC3-ethoxy-N-[[1-(fluoromethyl)-3H-isoindol-4-yl]methyl]-4-(3-fluorophenyl)-N-methylbenzamide;7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-N,N-dimethyl-1H-indazole-4-carboxamide;7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-1H-indazole-4-carboxylic acid;7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-N-methyl-1H-indazole-4-carboxamide
SMILESCCOc1cc(C(=O)N(C)Cc2ccc(C(=O)N(C)C)c3cn[nH]c23)ccc1-c1cccc(F)c1.CCOc1cc(C(=O)N(C)Cc2ccc(C(=O)NC)c3cn[nH]c23)ccc1-c1cccc(F)c1.CCOc1cc(C(=O)N(C)Cc2ccc(C(=O)O)c3cn[nH]c23)ccc1-c1cccc(F)c1.CCOc1cc(C(=O)N(C)Cc2cccc3c2CN=C3CF)ccc1-c1cccc(F)c1
InChIInChI=1S/C27H27FN4O3.C26H24F2N2O2.C26H25FN4O3.C25H22FN3O4/c1-5-35-24-14-18(9-11-21(24)17-7-6-8-20(28)13-17)26(33)32(4)16-19-10-12-22(27(34)31(2)3)23-15-29-30-25(19)23;1-3-32-25-13-18(10-11-21(25)17-6-4-8-20(28)12-17)26(31)30(2)16-19-7-5-9-22-23(19)15-29-24(22)14-27;1-4-34-23-13-17(8-10-20(23)16-6-5-7-19(27)12-16)26(33)31(3)15-18-9-11-21(25(32)28-2)22-14-29-30-24(18)22;1-3-33-22-12-16(7-9-19(22)15-5-4-6-18(26)11-15)24(30)29(2)14-17-8-10-20(25(31)32)21-13-27-28-23(17)21/h6-15H,5,16H2,1-4H3,(H,29,30);4-13H,3,14-16H2,1-2H3;5-14H,4,15H2,1-3H3,(H,28,32)(H,29,30);4-13H,3,14H2,1-2H3,(H,27,28)(H,31,32)
InChIKeyOHJBTCTWWABABM-UHFFFAOYSA-N
MW1817.00 g/mol
LogP19.32
Rot. Bonds28

About 3-ethoxy-N-[[1-(fluoromethyl)-3H-isoindol-4-yl]methyl]-4-(3-fluorophenyl)-N-methylbenzamide;7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-N,N-dimethyl-1H-indazole-4-carboxamide;7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-1H-indazole-4-carboxylic acid;7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-N-methyl-1H-indazole-4-carboxamide

3-ethoxy-N-[[1-(fluoromethyl)-3H-isoindol-4-yl]methyl]-4-(3-fluorophenyl)-N-methylbenzamide;7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-N,N-dimethyl-1H-indazole-4-carboxamide;7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-1H-indazole-4-carboxylic acid;7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-N-methyl-1H-indazole-4-carboxamide (PubChem CID 167634635) has the molecular formula C104H98F5N13O12 and a molecular weight of 1817.00 g/mol. Its IUPAC name is 3-ethoxy-N-[[1-(fluoromethyl)-3H-isoindol-4-yl]methyl]-4-(3-fluorophenyl)-N-methylbenzamide;7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-N,N-dimethyl-1H-indazole-4-carboxamide;7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-1H-indazole-4-carboxylic acid;7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-N-methyl-1H-indazole-4-carboxamide.

Molecular Properties

Compound Name3-ethoxy-N-[[1-(fluoromethyl)-3H-isoindol-4-yl]methyl]-4-(3-fluorophenyl)-N-methylbenzamide;7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-N,N-dimethyl-1H-indazole-4-carboxamide;7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-1H-indazole-4-carboxylic acid;7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-N-methyl-1H-indazole-4-carboxamide
PubChem CID167634635
Molecular FormulaC104H98F5N13O12
Molecular Weight1817.00 g/mol
Exact Mass1815.74
IUPAC Name3-ethoxy-N-[[1-(fluoromethyl)-3H-isoindol-4-yl]methyl]-4-(3-fluorophenyl)-N-methylbenzamide;7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-N,N-dimethyl-1H-indazole-4-carboxamide;7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-1H-indazole-4-carboxylic acid;7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-N-methyl-1H-indazole-4-carboxamide
SMILESCCOc1cc(C(=O)N(C)Cc2ccc(C(=O)N(C)C)c3cn[nH]c23)ccc1-c1cccc(F)c1.CCOc1cc(C(=O)N(C)Cc2ccc(C(=O)NC)c3cn[nH]c23)ccc1-c1cccc(F)c1.CCOc1cc(C(=O)N(C)Cc2ccc(C(=O)O)c3cn[nH]c23)ccc1-c1cccc(F)c1.CCOc1cc(C(=O)N(C)Cc2cccc3c2CN=C3CF)ccc1-c1cccc(F)c1
InChIInChI=1S/C27H27FN4O3.C26H24F2N2O2.C26H25FN4O3.C25H22FN3O4/c1-5-35-24-14-18(9-11-21(24)17-7-6-8-20(28)13-17)26(33)32(4)16-19-10-12-22(27(34)31(2)3)23-15-29-30-25(19)23;1-3-32-25-13-18(10-11-21(25)17-6-4-8-20(28)12-17)26(31)30(2)16-19-7-5-9-22-23(19)15-29-24(22)14-27;1-4-34-23-13-17(8-10-20(23)16-6-5-7-19(27)12-16)26(33)31(3)15-18-9-11-21(25(32)28-2)22-14-29-30-24(18)22;1-3-33-22-12-16(7-9-19(22)15-5-4-6-18(26)11-15)24(30)29(2)14-17-8-10-20(25(31)32)21-13-27-28-23(17)21/h6-15H,5,16H2,1-4H3,(H,29,30);4-13H,3,14-16H2,1-2H3;5-14H,4,15H2,1-3H3,(H,28,32)(H,29,30);4-13H,3,14H2,1-2H3,(H,27,28)(H,31,32)
InChIKeyOHJBTCTWWABABM-UHFFFAOYSA-N
XLogP19.32
TPSA303.27 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds28
Heavy Atoms134
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001817.00
LogP ≤ 519.32
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

Analyze 3-ethoxy-N-[[1-(fluoromethyl)-3H-isoindol-4-yl]methyl]-4-(3-fluorophenyl)-N-methylbenzamide;7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-N,N-dimethyl-1H-indazole-4-carboxamide;7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-1H-indazole-4-carboxylic acid;7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-N-methyl-1H-indazole-4-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
7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-N,N-dimethyl-1H-indazole-4-carboxamide
CID 165385161
3-ethoxy-4-(3-fluorophenyl)-N-methyl-N-[(4-methyl-1H-indazol-7-yl)methyl]benzamide
CID 165385176
4-(2,6-difluorophenyl)-3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide
CID 165385314
3-ethoxy-N-[(4-fluoro-1H-indazol-7-yl)methyl]-4-(3-fluorophenyl)-N-methylbenzamide
CID 165385405
4-(3,4-difluorophenyl)-3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide
CID 177377825
(3R)-3-[[2,3-difluoro-6-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]naphthalene-1-carbonyl]amino]-3-(1H-indazole-6-carbonylamino)pyrrolidine-1-carboxylic acid
CID 122512756
[2-benzyl-3-hydroxy-3-(1H-indazol-6-yl)-1-oxoisoindol-4-yl] 2,2,2-trifluoroacetate
CID 140521667
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
N-[(4-cyclopropyl-1H-indazol-7-yl)methyl]-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide
CID 165385050
3-ethoxy-N-[(6-fluoro-1H-indazol-7-yl)methyl]-4-(3-fluorophenyl)-N-methylbenzamide
CID 165385054
5-[2-ethoxy-4-[1H-indazol-4-ylmethyl(methyl)carbamoyl]phenyl]-2-fluoro-N-methylbenzamide
CID 165385075

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[[1-(fluoromethyl)-3H-isoindol-4-yl]methyl]-4-(3-fluorophenyl)-N-methylbenzamide;7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-N,N-dimethyl-1H-indazole-4-carboxamide;7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-1H-indazole-4-carboxylic acid;7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-N-methyl-1H-indazole-4-carboxamide?
The IUPAC name of 3-ethoxy-N-[[1-(fluoromethyl)-3H-isoindol-4-yl]methyl]-4-(3-fluorophenyl)-N-methylbenzamide;7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-N,N-dimethyl-1H-indazole-4-carboxamide;7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-1H-indazole-4-carboxylic acid;7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-N-methyl-1H-indazole-4-carboxamide (CID 167634635) is 3-ethoxy-N-[[1-(fluoromethyl)-3H-isoindol-4-yl]methyl]-4-(3-fluorophenyl)-N-methylbenzamide;7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-N,N-dimethyl-1H-indazole-4-carboxamide;7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-1H-indazole-4-carboxylic acid;7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-N-methyl-1H-indazole-4-carboxamide.
What is the SMILES notation for 3-ethoxy-N-[[1-(fluoromethyl)-3H-isoindol-4-yl]methyl]-4-(3-fluorophenyl)-N-methylbenzamide;7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-N,N-dimethyl-1H-indazole-4-carboxamide;7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-1H-indazole-4-carboxylic acid;7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-N-methyl-1H-indazole-4-carboxamide?
The canonical SMILES for 3-ethoxy-N-[[1-(fluoromethyl)-3H-isoindol-4-yl]methyl]-4-(3-fluorophenyl)-N-methylbenzamide;7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-N,N-dimethyl-1H-indazole-4-carboxamide;7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-1H-indazole-4-carboxylic acid;7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-N-methyl-1H-indazole-4-carboxamide is CCOc1cc(C(=O)N(C)Cc2ccc(C(=O)N(C)C)c3cn[nH]c23)ccc1-c1cccc(F)c1.CCOc1cc(C(=O)N(C)Cc2ccc(C(=O)NC)c3cn[nH]c23)ccc1-c1cccc(F)c1.CCOc1cc(C(=O)N(C)Cc2ccc(C(=O)O)c3cn[nH]c23)ccc1-c1cccc(F)c1.CCOc1cc(C(=O)N(C)Cc2cccc3c2CN=C3CF)ccc1-c1cccc(F)c1.
What is the InChIKey of 3-ethoxy-N-[[1-(fluoromethyl)-3H-isoindol-4-yl]methyl]-4-(3-fluorophenyl)-N-methylbenzamide;7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-N,N-dimethyl-1H-indazole-4-carboxamide;7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-1H-indazole-4-carboxylic acid;7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-N-methyl-1H-indazole-4-carboxamide?
The InChIKey is OHJBTCTWWABABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN4O3.C26H24F2N2O2.C26H25FN4O3.C25H22FN3O4/c1-5-35-24-14-18(9-11-21(24)17-7-6-8-20(28)13-17)26(33)32(4)16-19-10-12-22(27(34)31(2)3)23-15-29-30-25(19)23;1-3-32-25-13-18(10-11-21(25)17-6-4-8-20(28)12-17)26(31)30(2)16-19-7-5-9-22-23(19)15-29-24(22)14-27;1-4-34-23-13-17(8-10-20(23)16-6-5-7-19(27)12-16)26(33)31(3)15-18-9-11-21(25(32)28-2)22-14-29-30-24(18)22;1-3-33-22-12-16(7-9-19(22)15-5-4-6-18(26)11-15)24(30)29(2)14-17-8-10-20(25(31)32)21-13-27-28-23(17)21/h6-15H,5,16H2,1-4H3,(H,29,30);4-13H,3,14-16H2,1-2H3;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 3-ethoxy-N-[[1-(fluoromethyl)-3H-isoindol-4-yl]methyl]-4-(3-fluorophenyl)-N-methylbenzamide;7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-N,N-dimethyl-1H-indazole-4-carboxamide;7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-1H-indazole-4-carboxylic acid;7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-N-methyl-1H-indazole-4-carboxamide?
3-ethoxy-N-[[1-(fluoromethyl)-3H-isoindol-4-yl]methyl]-4-(3-fluorophenyl)-N-methylbenzamide;7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-N,N-dimethyl-1H-indazole-4-carboxamide;7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-1H-indazole-4-carboxylic acid;7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-N-methyl-1H-indazole-4-carboxamide has a molecular weight of 1817.00 g/mol, XLogP of 19.32, 28 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[[1-(fluoromethyl)-3H-isoindol-4-yl]methyl]-4-(3-fluorophenyl)-N-methylbenzamide;7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-N,N-dimethyl-1H-indazole-4-carboxamide;7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-1H-indazole-4-carboxylic acid;7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-N-methyl-1H-indazole-4-carboxamide is sourced from PubChem (CID 167634635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).