ethyl 2-[5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]indol-1-yl]acetate;2-methyl-2-[5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]indol-1-yl]propanoic acid;1-[5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]indol-1-yl]cyclobutane-1-carboxylic acid;1-[5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]indol-1-yl]cyclopentane-1-carboxylic acid;1-[5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]indol-1-yl]cyclopropane-1-carboxylic acid

C118H105F15N20O15 — CID 159763238

IUPACethyl 2-[5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]indol-1-yl]acetate;2-methyl-2-[5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]indol-1-yl]propanoic acid;1-[5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]indol-1-yl]cyclobutane-1-carboxylic acid;1-[5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]indol-1-yl]cyclopentane-1-carboxylic acid;1-[5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]indol-1-yl]cyclopropane-1-carboxylic acid
SMILESCCOC(=O)Cn1ccc2cc(OCc3nn(-c4ccc(C(F)(F)F)cc4)nc3C)ccc21.Cc1nn(-c2ccc(C(F)(F)F)cc2)nc1COc1ccc2c(ccn2C(C)(C)C(=O)O)c1.Cc1nn(-c2ccc(C(F)(F)F)cc2)nc1COc1ccc2c(ccn2C2(C(=O)O)CC2)c1.Cc1nn(-c2ccc(C(F)(F)F)cc2)nc1COc1ccc2c(ccn2C2(C(=O)O)CCC2)c1.Cc1nn(-c2ccc(C(F)(F)F)cc2)nc1COc1ccc2c(ccn2C2(C(=O)O)CCCC2)c1
InChIInChI=1S/C25H23F3N4O3.C24H21F3N4O3.C23H19F3N4O3.2C23H21F3N4O3/c1-16-21(30-32(29-16)19-6-4-18(5-7-19)25(26,27)28)15-35-20-8-9-22-17(14-20)10-13-31(22)24(23(33)34)11-2-3-12-24;1-15-20(29-31(28-15)18-5-3-17(4-6-18)24(25,26)27)14-34-19-7-8-21-16(13-19)9-12-30(21)23(22(32)33)10-2-11-23;1-14-19(28-30(27-14)17-4-2-16(3-5-17)23(24,25)26)13-33-18-6-7-20-15(12-18)8-11-29(20)22(9-10-22)21(31)32;1-14-19(28-30(27-14)17-6-4-16(5-7-17)23(24,25)26)13-33-18-8-9-20-15(12-18)10-11-29(20)22(2,3)21(31)32;1-3-32-22(31)13-29-11-10-16-12-19(8-9-21(16)29)33-14-20-15(2)27-30(28-20)18-6-4-17(5-7-18)23(24,25)26/h4-10,13-14H,2-3,11-12,15H2,1H3,(H,33,34);3-9,12-13H,2,10-11,14H2,1H3,(H,32,33);2-8,11-12H,9-10,13H2,1H3,(H,31,32);4-12H,13H2,1-3H3,(H,31,32);4-12H,3,13-14H2,1-2H3
InChIKeyNFDZNHVCMPDUSW-UHFFFAOYSA-N
MW2328.23 g/mol
LogP24.92
Rot. Bonds31

About ethyl 2-[5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]indol-1-yl]acetate;2-methyl-2-[5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]indol-1-yl]propanoic acid;1-[5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]indol-1-yl]cyclobutane-1-carboxylic acid;1-[5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]indol-1-yl]cyclopentane-1-carboxylic acid;1-[5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]indol-1-yl]cyclopropane-1-carboxylic acid

ethyl 2-[5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]indol-1-yl]acetate;2-methyl-2-[5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]indol-1-yl]propanoic acid;1-[5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]indol-1-yl]cyclobutane-1-carboxylic acid;1-[5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]indol-1-yl]cyclopentane-1-carboxylic acid;1-[5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]indol-1-yl]cyclopropane-1-carboxylic acid (PubChem CID 159763238) has the molecular formula C118H105F15N20O15 and a molecular weight of 2328.23 g/mol. Its IUPAC name is ethyl 2-[5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]indol-1-yl]acetate;2-methyl-2-[5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]indol-1-yl]propanoic acid;1-[5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]indol-1-yl]cyclobutane-1-carboxylic acid;1-[5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]indol-1-yl]cyclopentane-1-carboxylic acid;1-[5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]indol-1-yl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nameethyl 2-[5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]indol-1-yl]acetate;2-methyl-2-[5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]indol-1-yl]propanoic acid;1-[5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]indol-1-yl]cyclobutane-1-carboxylic acid;1-[5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]indol-1-yl]cyclopentane-1-carboxylic acid;1-[5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]indol-1-yl]cyclopropane-1-carboxylic acid
PubChem CID159763238
Molecular FormulaC118H105F15N20O15
Molecular Weight2328.23 g/mol
Exact Mass2326.78
IUPAC Nameethyl 2-[5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]indol-1-yl]acetate;2-methyl-2-[5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]indol-1-yl]propanoic acid;1-[5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]indol-1-yl]cyclobutane-1-carboxylic acid;1-[5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]indol-1-yl]cyclopentane-1-carboxylic acid;1-[5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]indol-1-yl]cyclopropane-1-carboxylic acid
SMILESCCOC(=O)Cn1ccc2cc(OCc3nn(-c4ccc(C(F)(F)F)cc4)nc3C)ccc21.Cc1nn(-c2ccc(C(F)(F)F)cc2)nc1COc1ccc2c(ccn2C(C)(C)C(=O)O)c1.Cc1nn(-c2ccc(C(F)(F)F)cc2)nc1COc1ccc2c(ccn2C2(C(=O)O)CC2)c1.Cc1nn(-c2ccc(C(F)(F)F)cc2)nc1COc1ccc2c(ccn2C2(C(=O)O)CCC2)c1.Cc1nn(-c2ccc(C(F)(F)F)cc2)nc1COc1ccc2c(ccn2C2(C(=O)O)CCCC2)c1
InChIInChI=1S/C25H23F3N4O3.C24H21F3N4O3.C23H19F3N4O3.2C23H21F3N4O3/c1-16-21(30-32(29-16)19-6-4-18(5-7-19)25(26,27)28)15-35-20-8-9-22-17(14-20)10-13-31(22)24(23(33)34)11-2-3-12-24;1-15-20(29-31(28-15)18-5-3-17(4-6-18)24(25,26)27)14-34-19-7-8-21-16(13-19)9-12-30(21)23(22(32)33)10-2-11-23;1-14-19(28-30(27-14)17-4-2-16(3-5-17)23(24,25)26)13-33-18-6-7-20-15(12-18)8-11-29(20)22(9-10-22)21(31)32;1-14-19(28-30(27-14)17-6-4-16(5-7-17)23(24,25)26)13-33-18-8-9-20-15(12-18)10-11-29(20)22(2,3)21(31)32;1-3-32-22(31)13-29-11-10-16-12-19(8-9-21(16)29)33-14-20-15(2)27-30(28-20)18-6-4-17(5-7-18)23(24,25)26/h4-10,13-14H,2-3,11-12,15H2,1H3,(H,33,34);3-9,12-13H,2,10-11,14H2,1H3,(H,32,33);2-8,11-12H,9-10,13H2,1H3,(H,31,32);4-12H,13H2,1-3H3,(H,31,32);4-12H,3,13-14H2,1-2H3
InChIKeyNFDZNHVCMPDUSW-UHFFFAOYSA-N
XLogP24.92
TPSA399.85 Ų
H-Bond Donors4
H-Bond Acceptors31
Rotatable Bonds31
Heavy Atoms168
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002328.23
LogP ≤ 524.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1031

Analyze ethyl 2-[5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]indol-1-yl]acetate;2-methyl-2-[5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]indol-1-yl]propanoic acid;1-[5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]indol-1-yl]cyclobutane-1-carboxylic acid;1-[5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]indol-1-yl]cyclopentane-1-carboxylic acid;1-[5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]indol-1-yl]cyclopropane-1-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]indol-1-yl]acetate;2-methyl-2-[5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]indol-1-yl]propanoic acid;1-[5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]indol-1-yl]cyclobutane-1-carboxylic acid;1-[5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]indol-1-yl]cyclopentane-1-carboxylic acid;1-[5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]indol-1-yl]cyclopropane-1-carboxylic acid?
The IUPAC name of ethyl 2-[5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]indol-1-yl]acetate;2-methyl-2-[5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]indol-1-yl]propanoic acid;1-[5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]indol-1-yl]cyclobutane-1-carboxylic acid;1-[5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]indol-1-yl]cyclopentane-1-carboxylic acid;1-[5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]indol-1-yl]cyclopropane-1-carboxylic acid (CID 159763238) is ethyl 2-[5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]indol-1-yl]acetate;2-methyl-2-[5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]indol-1-yl]propanoic acid;1-[5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]indol-1-yl]cyclobutane-1-carboxylic acid;1-[5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]indol-1-yl]cyclopentane-1-carboxylic acid;1-[5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]indol-1-yl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for ethyl 2-[5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]indol-1-yl]acetate;2-methyl-2-[5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]indol-1-yl]propanoic acid;1-[5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]indol-1-yl]cyclobutane-1-carboxylic acid;1-[5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]indol-1-yl]cyclopentane-1-carboxylic acid;1-[5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]indol-1-yl]cyclopropane-1-carboxylic acid?
The canonical SMILES for ethyl 2-[5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]indol-1-yl]acetate;2-methyl-2-[5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]indol-1-yl]propanoic acid;1-[5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]indol-1-yl]cyclobutane-1-carboxylic acid;1-[5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]indol-1-yl]cyclopentane-1-carboxylic acid;1-[5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]indol-1-yl]cyclopropane-1-carboxylic acid is CCOC(=O)Cn1ccc2cc(OCc3nn(-c4ccc(C(F)(F)F)cc4)nc3C)ccc21.Cc1nn(-c2ccc(C(F)(F)F)cc2)nc1COc1ccc2c(ccn2C(C)(C)C(=O)O)c1.Cc1nn(-c2ccc(C(F)(F)F)cc2)nc1COc1ccc2c(ccn2C2(C(=O)O)CC2)c1.Cc1nn(-c2ccc(C(F)(F)F)cc2)nc1COc1ccc2c(ccn2C2(C(=O)O)CCC2)c1.Cc1nn(-c2ccc(C(F)(F)F)cc2)nc1COc1ccc2c(ccn2C2(C(=O)O)CCCC2)c1.
What is the InChIKey of ethyl 2-[5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]indol-1-yl]acetate;2-methyl-2-[5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]indol-1-yl]propanoic acid;1-[5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]indol-1-yl]cyclobutane-1-carboxylic acid;1-[5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]indol-1-yl]cyclopentane-1-carboxylic acid;1-[5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]indol-1-yl]cyclopropane-1-carboxylic acid?
The InChIKey is NFDZNHVCMPDUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N4O3.C24H21F3N4O3.C23H19F3N4O3.2C23H21F3N4O3/c1-16-21(30-32(29-16)19-6-4-18(5-7-19)25(26,27)28)15-35-20-8-9-22-17(14-20)10-13-31(22)24(23(33)34)11-2-3-12-24;1-15-20(29-31(28-15)18-5-3-17(4-6-18)24(25,26)27)14-34-19-7-8-21-16(13-19)9-12-30(21)23(22(32)33)10-2-11-23;1-14-19(28-30(27-14)17-4-2-16(3-5-17)23(24,25)26)13-33-18-6-7-20-15(12-18)8-11-29(20)22(9-10-22)21(31)32;1-14-19(28-30(27-14)17-6-4-16(5-7-17)23(24,25)26)13-33-18-8-9-20-15(12-18)10-11-29(20)22(2,3)21(31)32;1-3-32-22(31)13-29-11-10-16-12-19(8-9-21(16)29)33-14-20-15(2)27-30(28-20)18-6-4-17(5-7-18)23(24,25)26/h4-10,13-14H,2-3,11-12,15H2,1H3,(H,33,34);3-9,12-13H,2,10-11,14H2,1H3,(H,32,33);2-8,11-12H,9-10,13H2,1H3,(H,31,32);4-12H,13H2,1-3H3,(H,31,32);4-12H,3,13-14H2,1-2H3.
What are the key properties of ethyl 2-[5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]indol-1-yl]acetate;2-methyl-2-[5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]indol-1-yl]propanoic acid;1-[5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]indol-1-yl]cyclobutane-1-carboxylic acid;1-[5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]indol-1-yl]cyclopentane-1-carboxylic acid;1-[5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]indol-1-yl]cyclopropane-1-carboxylic acid?
ethyl 2-[5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]indol-1-yl]acetate;2-methyl-2-[5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]indol-1-yl]propanoic acid;1-[5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]indol-1-yl]cyclobutane-1-carboxylic acid;1-[5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]indol-1-yl]cyclopentane-1-carboxylic acid;1-[5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]indol-1-yl]cyclopropane-1-carboxylic acid has a molecular weight of 2328.23 g/mol, XLogP of 24.92, 31 rotatable bonds, 4 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]indol-1-yl]acetate;2-methyl-2-[5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]indol-1-yl]propanoic acid;1-[5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]indol-1-yl]cyclobutane-1-carboxylic acid;1-[5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]indol-1-yl]cyclopentane-1-carboxylic acid;1-[5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]indol-1-yl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 159763238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).