2-[1-(cyclobutylmethyl)-2-methylindol-3-yl]acetic acid;2-[1-(cyclohexylmethyl)-2-methylindol-3-yl]acetic acid;2-[1-(cyclopentanecarbonyl)-2-methylindol-3-yl]acetic acid;N,N-dimethyl-2-[2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[2-methyl-1-(2-methylpropanoyl)indol-3-yl]acetic acid;N-methyl-2-[2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[2-phenyl-1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]acetic acid

C131H132F9N9O18 — CID 159893290

IUPAC2-[1-(cyclobutylmethyl)-2-methylindol-3-yl]acetic acid;2-[1-(cyclohexylmethyl)-2-methylindol-3-yl]acetic acid;2-[1-(cyclopentanecarbonyl)-2-methylindol-3-yl]acetic acid;N,N-dimethyl-2-[2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[2-methyl-1-(2-methylpropanoyl)indol-3-yl]acetic acid;N-methyl-2-[2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[2-phenyl-1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]acetic acid
SMILESCNC(=O)Cc1c(C)n(C(=O)c2ccc(OC(F)(F)F)cc2)c2ccccc12.Cc1c(CC(=O)N(C)C)c2ccccc2n1C(=O)c1ccc(OC(F)(F)F)cc1.Cc1c(CC(=O)O)c2ccccc2n1C(=O)C(C)C.Cc1c(CC(=O)O)c2ccccc2n1C(=O)C1CCCC1.Cc1c(CC(=O)O)c2ccccc2n1CC1CCC1.Cc1c(CC(=O)O)c2ccccc2n1CC1CCCCC1.O=C(O)Cc1c(-c2ccccc2)n(Cc2ccc(C(F)(F)F)cc2)c2ccccc12
InChIInChI=1S/C24H18F3NO2.C21H19F3N2O3.C20H17F3N2O3.C18H23NO2.C17H19NO3.C16H19NO2.C15H17NO3/c25-24(26,27)18-12-10-16(11-13-18)15-28-21-9-5-4-8-19(21)20(14-22(29)30)23(28)17-6-2-1-3-7-17;1-13-17(12-19(27)25(2)3)16-6-4-5-7-18(16)26(13)20(28)14-8-10-15(11-9-14)29-21(22,23)24;1-12-16(11-18(26)24-2)15-5-3-4-6-17(15)25(12)19(27)13-7-9-14(10-8-13)28-20(21,22)23;1-13-16(11-18(20)21)15-9-5-6-10-17(15)19(13)12-14-7-3-2-4-8-14;1-11-14(10-16(19)20)13-8-4-5-9-15(13)18(11)17(21)12-6-2-3-7-12;1-11-14(9-16(18)19)13-7-2-3-8-15(13)17(11)10-12-5-4-6-12;1-9(2)15(19)16-10(3)12(8-14(17)18)11-6-4-5-7-13(11)16/h1-13H,14-15H2,(H,29,30);4-11H,12H2,1-3H3;3-10H,11H2,1-2H3,(H,24,26);5-6,9-10,14H,2-4,7-8,11-12H2,1H3,(H,20,21);4-5,8-9,12H,2-3,6-7,10H2,1H3,(H,19,20);2-3,7-8,12H,4-6,9-10H2,1H3,(H,18,19);4-7,9H,8H2,1-3H3,(H,17,18)
InChIKeyNVAKQXANQKIKSF-UHFFFAOYSA-N
MW2291.52 g/mol
LogP27.81
Rot. Bonds27

About 2-[1-(cyclobutylmethyl)-2-methylindol-3-yl]acetic acid;2-[1-(cyclohexylmethyl)-2-methylindol-3-yl]acetic acid;2-[1-(cyclopentanecarbonyl)-2-methylindol-3-yl]acetic acid;N,N-dimethyl-2-[2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[2-methyl-1-(2-methylpropanoyl)indol-3-yl]acetic acid;N-methyl-2-[2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[2-phenyl-1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]acetic acid

2-[1-(cyclobutylmethyl)-2-methylindol-3-yl]acetic acid;2-[1-(cyclohexylmethyl)-2-methylindol-3-yl]acetic acid;2-[1-(cyclopentanecarbonyl)-2-methylindol-3-yl]acetic acid;N,N-dimethyl-2-[2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[2-methyl-1-(2-methylpropanoyl)indol-3-yl]acetic acid;N-methyl-2-[2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[2-phenyl-1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]acetic acid (PubChem CID 159893290) has the molecular formula C131H132F9N9O18 and a molecular weight of 2291.52 g/mol. Its IUPAC name is 2-[1-(cyclobutylmethyl)-2-methylindol-3-yl]acetic acid;2-[1-(cyclohexylmethyl)-2-methylindol-3-yl]acetic acid;2-[1-(cyclopentanecarbonyl)-2-methylindol-3-yl]acetic acid;N,N-dimethyl-2-[2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[2-methyl-1-(2-methylpropanoyl)indol-3-yl]acetic acid;N-methyl-2-[2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[2-phenyl-1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(cyclobutylmethyl)-2-methylindol-3-yl]acetic acid;2-[1-(cyclohexylmethyl)-2-methylindol-3-yl]acetic acid;2-[1-(cyclopentanecarbonyl)-2-methylindol-3-yl]acetic acid;N,N-dimethyl-2-[2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[2-methyl-1-(2-methylpropanoyl)indol-3-yl]acetic acid;N-methyl-2-[2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[2-phenyl-1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]acetic acid
PubChem CID159893290
Molecular FormulaC131H132F9N9O18
Molecular Weight2291.52 g/mol
Exact Mass2289.95
IUPAC Name2-[1-(cyclobutylmethyl)-2-methylindol-3-yl]acetic acid;2-[1-(cyclohexylmethyl)-2-methylindol-3-yl]acetic acid;2-[1-(cyclopentanecarbonyl)-2-methylindol-3-yl]acetic acid;N,N-dimethyl-2-[2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[2-methyl-1-(2-methylpropanoyl)indol-3-yl]acetic acid;N-methyl-2-[2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[2-phenyl-1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]acetic acid
SMILESCNC(=O)Cc1c(C)n(C(=O)c2ccc(OC(F)(F)F)cc2)c2ccccc12.Cc1c(CC(=O)N(C)C)c2ccccc2n1C(=O)c1ccc(OC(F)(F)F)cc1.Cc1c(CC(=O)O)c2ccccc2n1C(=O)C(C)C.Cc1c(CC(=O)O)c2ccccc2n1C(=O)C1CCCC1.Cc1c(CC(=O)O)c2ccccc2n1CC1CCC1.Cc1c(CC(=O)O)c2ccccc2n1CC1CCCCC1.O=C(O)Cc1c(-c2ccccc2)n(Cc2ccc(C(F)(F)F)cc2)c2ccccc12
InChIInChI=1S/C24H18F3NO2.C21H19F3N2O3.C20H17F3N2O3.C18H23NO2.C17H19NO3.C16H19NO2.C15H17NO3/c25-24(26,27)18-12-10-16(11-13-18)15-28-21-9-5-4-8-19(21)20(14-22(29)30)23(28)17-6-2-1-3-7-17;1-13-17(12-19(27)25(2)3)16-6-4-5-7-18(16)26(13)20(28)14-8-10-15(11-9-14)29-21(22,23)24;1-12-16(11-18(26)24-2)15-5-3-4-6-17(15)25(12)19(27)13-7-9-14(10-8-13)28-20(21,22)23;1-13-16(11-18(20)21)15-9-5-6-10-17(15)19(13)12-14-7-3-2-4-8-14;1-11-14(10-16(19)20)13-8-4-5-9-15(13)18(11)17(21)12-6-2-3-7-12;1-11-14(9-16(18)19)13-7-2-3-8-15(13)17(11)10-12-5-4-6-12;1-9(2)15(19)16-10(3)12(8-14(17)18)11-6-4-5-7-13(11)16/h1-13H,14-15H2,(H,29,30);4-11H,12H2,1-3H3;3-10H,11H2,1-2H3,(H,24,26);5-6,9-10,14H,2-4,7-8,11-12H2,1H3,(H,20,21);4-5,8-9,12H,2-3,6-7,10H2,1H3,(H,19,20);2-3,7-8,12H,4-6,9-10H2,1H3,(H,18,19);4-7,9H,8H2,1-3H3,(H,17,18)
InChIKeyNVAKQXANQKIKSF-UHFFFAOYSA-N
XLogP27.81
TPSA357.16 Ų
H-Bond Donors6
H-Bond Acceptors20
Rotatable Bonds27
Heavy Atoms167
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002291.52
LogP ≤ 527.81
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 2-[1-(cyclobutylmethyl)-2-methylindol-3-yl]acetic acid;2-[1-(cyclohexylmethyl)-2-methylindol-3-yl]acetic acid;2-[1-(cyclopentanecarbonyl)-2-methylindol-3-yl]acetic acid;N,N-dimethyl-2-[2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[2-methyl-1-(2-methylpropanoyl)indol-3-yl]acetic acid;N-methyl-2-[2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[2-phenyl-1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]acetic acid with MolForge

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Related Compounds

3-Carbamoyl-6-(ethylamino)-2,3,4,5-tetrakis[6-fluoro-1-(3-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]-4-(methylcarbamoyl)-6-oxohexanoic acid
CID 87854167
2-[6-Fluoro-5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetic acid;2-[6-fluoro-5-methoxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-3-methylbutanoic acid
CID 87854438
3-Carbamoyl-5-(ethylcarbamoyl)-2,3,4,5,6-pentakis[4-fluoro-1-(3-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]-4-(methylcarbamoyl)-7-oxo-7-(propylamino)heptanoic acid
CID 87854938
3-[[2-[6-Fluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetyl]amino]-2-methylpropanoic acid;3-[[2-[6-fluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetyl]amino]propanoic acid
CID 87892710
N-butyl-2-[5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propan-2-ylacetamide
CID 87892715
N-butyl-2,3-bis[5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N'-propan-2-ylbutanediamide
CID 87892716
N-ethyl-2-[6-fluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[6-fluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propylacetamide
CID 87892765
N-ethyl-2,3-bis[6-fluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N'-propylbutanediamide
CID 87892766
N-ethyl-2,3-bis[4-fluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N'-propylbutanediamide
CID 87893297
N-ethyl-2-[4-fluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[4-fluoro-5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]-N-propylacetamide
CID 87893298
2-[1-[2-Amino-1-[4,6-difluoro-1-(3-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]-2-oxoethyl]-5-[2-cyclopentyl-2-[4,6-difluoro-1-(3-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]acetyl]oxy-4,6-difluoro-1-(3-fluorobenzoyl)-2-methylindol-1-ium-3-yl]-2-[4,6-difluoro-1-(3-fluorobenzoyl)-5-hydroxy-2-methylindol-3-yl]acetate
CID 87893438
N-butan-2-yl-N'-(2-hydroxyethyl)-2,4-bis[5-hydroxy-2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]pentanediamide
CID 87893469

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclobutylmethyl)-2-methylindol-3-yl]acetic acid;2-[1-(cyclohexylmethyl)-2-methylindol-3-yl]acetic acid;2-[1-(cyclopentanecarbonyl)-2-methylindol-3-yl]acetic acid;N,N-dimethyl-2-[2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[2-methyl-1-(2-methylpropanoyl)indol-3-yl]acetic acid;N-methyl-2-[2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[2-phenyl-1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]acetic acid?
The IUPAC name of 2-[1-(cyclobutylmethyl)-2-methylindol-3-yl]acetic acid;2-[1-(cyclohexylmethyl)-2-methylindol-3-yl]acetic acid;2-[1-(cyclopentanecarbonyl)-2-methylindol-3-yl]acetic acid;N,N-dimethyl-2-[2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[2-methyl-1-(2-methylpropanoyl)indol-3-yl]acetic acid;N-methyl-2-[2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[2-phenyl-1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]acetic acid (CID 159893290) is 2-[1-(cyclobutylmethyl)-2-methylindol-3-yl]acetic acid;2-[1-(cyclohexylmethyl)-2-methylindol-3-yl]acetic acid;2-[1-(cyclopentanecarbonyl)-2-methylindol-3-yl]acetic acid;N,N-dimethyl-2-[2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[2-methyl-1-(2-methylpropanoyl)indol-3-yl]acetic acid;N-methyl-2-[2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[2-phenyl-1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(cyclobutylmethyl)-2-methylindol-3-yl]acetic acid;2-[1-(cyclohexylmethyl)-2-methylindol-3-yl]acetic acid;2-[1-(cyclopentanecarbonyl)-2-methylindol-3-yl]acetic acid;N,N-dimethyl-2-[2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[2-methyl-1-(2-methylpropanoyl)indol-3-yl]acetic acid;N-methyl-2-[2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[2-phenyl-1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]acetic acid?
The canonical SMILES for 2-[1-(cyclobutylmethyl)-2-methylindol-3-yl]acetic acid;2-[1-(cyclohexylmethyl)-2-methylindol-3-yl]acetic acid;2-[1-(cyclopentanecarbonyl)-2-methylindol-3-yl]acetic acid;N,N-dimethyl-2-[2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[2-methyl-1-(2-methylpropanoyl)indol-3-yl]acetic acid;N-methyl-2-[2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[2-phenyl-1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]acetic acid is CNC(=O)Cc1c(C)n(C(=O)c2ccc(OC(F)(F)F)cc2)c2ccccc12.Cc1c(CC(=O)N(C)C)c2ccccc2n1C(=O)c1ccc(OC(F)(F)F)cc1.Cc1c(CC(=O)O)c2ccccc2n1C(=O)C(C)C.Cc1c(CC(=O)O)c2ccccc2n1C(=O)C1CCCC1.Cc1c(CC(=O)O)c2ccccc2n1CC1CCC1.Cc1c(CC(=O)O)c2ccccc2n1CC1CCCCC1.O=C(O)Cc1c(-c2ccccc2)n(Cc2ccc(C(F)(F)F)cc2)c2ccccc12.
What is the InChIKey of 2-[1-(cyclobutylmethyl)-2-methylindol-3-yl]acetic acid;2-[1-(cyclohexylmethyl)-2-methylindol-3-yl]acetic acid;2-[1-(cyclopentanecarbonyl)-2-methylindol-3-yl]acetic acid;N,N-dimethyl-2-[2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[2-methyl-1-(2-methylpropanoyl)indol-3-yl]acetic acid;N-methyl-2-[2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[2-phenyl-1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]acetic acid?
The InChIKey is NVAKQXANQKIKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3NO2.C21H19F3N2O3.C20H17F3N2O3.C18H23NO2.C17H19NO3.C16H19NO2.C15H17NO3/c25-24(26,27)18-12-10-16(11-13-18)15-28-21-9-5-4-8-19(21)20(14-22(29)30)23(28)17-6-2-1-3-7-17;1-13-17(12-19(27)25(2)3)16-6-4-5-7-18(16)26(13)20(28)14-8-10-15(11-9-14)29-21(22,23)24;1-12-16(11-18(26)24-2)15-5-3-4-6-17(15)25(12)19(27)13-7-9-14(10-8-13)28-20(21,22)23;1-13-16(11-18(20)21)15-9-5-6-10-17(15)19(13)12-14-7-3-2-4-8-14;1-11-14(10-16(19)20)13-8-4-5-9-15(13)18(11)17(21)12-6-2-3-7-12;1-11-14(9-16(18)19)13-7-2-3-8-15(13)17(11)10-12-5-4-6-12;1-9(2)15(19)16-10(3)12(8-14(17)18)11-6-4-5-7-13(11)16/h1-13H,14-15H2,(H,29,30);4-11H,12H2,1-3H3;3-10H,11H2,1-2H3,(H,24,26);5-6,9-10,14H,2-4,7-8,11-12H2,1H3,(H,20,21);4-5,8-9,12H,2-3,6-7,10H2,1H3,(H,19,20);2-3,7-8,12H,4-6,9-10H2,1H3,(H,18,19);4-7,9H,8H2,1-3H3,(H,17,18).
What are the key properties of 2-[1-(cyclobutylmethyl)-2-methylindol-3-yl]acetic acid;2-[1-(cyclohexylmethyl)-2-methylindol-3-yl]acetic acid;2-[1-(cyclopentanecarbonyl)-2-methylindol-3-yl]acetic acid;N,N-dimethyl-2-[2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[2-methyl-1-(2-methylpropanoyl)indol-3-yl]acetic acid;N-methyl-2-[2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[2-phenyl-1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]acetic acid?
2-[1-(cyclobutylmethyl)-2-methylindol-3-yl]acetic acid;2-[1-(cyclohexylmethyl)-2-methylindol-3-yl]acetic acid;2-[1-(cyclopentanecarbonyl)-2-methylindol-3-yl]acetic acid;N,N-dimethyl-2-[2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[2-methyl-1-(2-methylpropanoyl)indol-3-yl]acetic acid;N-methyl-2-[2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[2-phenyl-1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]acetic acid has a molecular weight of 2291.52 g/mol, XLogP of 27.81, 27 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclobutylmethyl)-2-methylindol-3-yl]acetic acid;2-[1-(cyclohexylmethyl)-2-methylindol-3-yl]acetic acid;2-[1-(cyclopentanecarbonyl)-2-methylindol-3-yl]acetic acid;N,N-dimethyl-2-[2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[2-methyl-1-(2-methylpropanoyl)indol-3-yl]acetic acid;N-methyl-2-[2-methyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl]acetamide;2-[2-phenyl-1-[[4-(trifluoromethyl)phenyl]methyl]indol-3-yl]acetic acid is sourced from PubChem (CID 159893290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).