5-[(4-tert-butylphenyl)methoxy]-3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;5-[(4-carboxyphenyl)methoxy]-3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]-5-(2-phenylethoxy)indole-2-carboxylic acid;3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]-5-[[4-(trifluoromethyl)phenyl]methoxy]indole-2-carboxylic acid

C143H133F3N4O22 — CID 162067008

IUPAC5-[(4-tert-butylphenyl)methoxy]-3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;5-[(4-carboxyphenyl)methoxy]-3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]-5-(2-phenylethoxy)indole-2-carboxylic acid;3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]-5-[[4-(trifluoromethyl)phenyl]methoxy]indole-2-carboxylic acid
SMILESCOc1cccc(Cn2c(C(=O)O)c(-c3ccc(OCC4CC4)cc3)c3cc(OCCc4ccccc4)ccc32)c1.COc1cccc(Cn2c(C(=O)O)c(-c3ccc(OCC4CC4)cc3)c3cc(OCc4ccc(C(=O)O)cc4)ccc32)c1.COc1cccc(Cn2c(C(=O)O)c(-c3ccc(OCC4CC4)cc3)c3cc(OCc4ccc(C(C)(C)C)cc4)ccc32)c1.COc1cccc(Cn2c(C(=O)O)c(-c3ccc(OCC4CC4)cc3)c3cc(OCc4ccc(C(F)(F)F)cc4)ccc32)c1
InChIInChI=1S/C38H39NO5.C35H30F3NO5.C35H31NO7.C35H33NO5/c1-38(2,3)29-14-10-26(11-15-29)24-44-32-18-19-34-33(21-32)35(28-12-16-30(17-13-28)43-23-25-8-9-25)36(37(40)41)39(34)22-27-6-5-7-31(20-27)42-4;1-42-28-4-2-3-24(17-28)19-39-31-16-15-29(44-21-23-7-11-26(12-8-23)35(36,37)38)18-30(31)32(33(39)34(40)41)25-9-13-27(14-10-25)43-20-22-5-6-22;1-41-28-4-2-3-24(17-28)19-36-31-16-15-29(43-21-23-7-9-26(10-8-23)34(37)38)18-30(31)32(33(36)35(39)40)25-11-13-27(14-12-25)42-20-22-5-6-22;1-39-29-9-5-8-26(20-29)22-36-32-17-16-30(40-19-18-24-6-3-2-4-7-24)21-31(32)33(34(36)35(37)38)27-12-14-28(15-13-27)41-23-25-10-11-25/h5-7,10-21,25H,8-9,22-24H2,1-4H3,(H,40,41);2-4,7-18,22H,5-6,19-21H2,1H3,(H,40,41);2-4,7-18,22H,5-6,19-21H2,1H3,(H,37,38)(H,39,40);2-9,12-17,20-21,25H,10-11,18-19,22-23H2,1H3,(H,37,38)
InChIKeyZAOXLYZBRCFLLD-UHFFFAOYSA-N
MW2316.64 g/mol
LogP31.78
Rot. Bonds46

About 5-[(4-tert-butylphenyl)methoxy]-3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;5-[(4-carboxyphenyl)methoxy]-3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]-5-(2-phenylethoxy)indole-2-carboxylic acid;3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]-5-[[4-(trifluoromethyl)phenyl]methoxy]indole-2-carboxylic acid

5-[(4-tert-butylphenyl)methoxy]-3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;5-[(4-carboxyphenyl)methoxy]-3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]-5-(2-phenylethoxy)indole-2-carboxylic acid;3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]-5-[[4-(trifluoromethyl)phenyl]methoxy]indole-2-carboxylic acid (PubChem CID 162067008) has the molecular formula C143H133F3N4O22 and a molecular weight of 2316.64 g/mol. Its IUPAC name is 5-[(4-tert-butylphenyl)methoxy]-3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;5-[(4-carboxyphenyl)methoxy]-3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]-5-(2-phenylethoxy)indole-2-carboxylic acid;3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]-5-[[4-(trifluoromethyl)phenyl]methoxy]indole-2-carboxylic acid.

Molecular Properties

Compound Name5-[(4-tert-butylphenyl)methoxy]-3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;5-[(4-carboxyphenyl)methoxy]-3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]-5-(2-phenylethoxy)indole-2-carboxylic acid;3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]-5-[[4-(trifluoromethyl)phenyl]methoxy]indole-2-carboxylic acid
PubChem CID162067008
Molecular FormulaC143H133F3N4O22
Molecular Weight2316.64 g/mol
Exact Mass2314.94
IUPAC Name5-[(4-tert-butylphenyl)methoxy]-3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;5-[(4-carboxyphenyl)methoxy]-3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]-5-(2-phenylethoxy)indole-2-carboxylic acid;3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]-5-[[4-(trifluoromethyl)phenyl]methoxy]indole-2-carboxylic acid
SMILESCOc1cccc(Cn2c(C(=O)O)c(-c3ccc(OCC4CC4)cc3)c3cc(OCCc4ccccc4)ccc32)c1.COc1cccc(Cn2c(C(=O)O)c(-c3ccc(OCC4CC4)cc3)c3cc(OCc4ccc(C(=O)O)cc4)ccc32)c1.COc1cccc(Cn2c(C(=O)O)c(-c3ccc(OCC4CC4)cc3)c3cc(OCc4ccc(C(C)(C)C)cc4)ccc32)c1.COc1cccc(Cn2c(C(=O)O)c(-c3ccc(OCC4CC4)cc3)c3cc(OCc4ccc(C(F)(F)F)cc4)ccc32)c1
InChIInChI=1S/C38H39NO5.C35H30F3NO5.C35H31NO7.C35H33NO5/c1-38(2,3)29-14-10-26(11-15-29)24-44-32-18-19-34-33(21-32)35(28-12-16-30(17-13-28)43-23-25-8-9-25)36(37(40)41)39(34)22-27-6-5-7-31(20-27)42-4;1-42-28-4-2-3-24(17-28)19-39-31-16-15-29(44-21-23-7-11-26(12-8-23)35(36,37)38)18-30(31)32(33(39)34(40)41)25-9-13-27(14-10-25)43-20-22-5-6-22;1-41-28-4-2-3-24(17-28)19-36-31-16-15-29(43-21-23-7-9-26(10-8-23)34(37)38)18-30(31)32(33(36)35(39)40)25-11-13-27(14-12-25)42-20-22-5-6-22;1-39-29-9-5-8-26(20-29)22-36-32-17-16-30(40-19-18-24-6-3-2-4-7-24)21-31(32)33(34(36)35(37)38)27-12-14-28(15-13-27)41-23-25-10-11-25/h5-7,10-21,25H,8-9,22-24H2,1-4H3,(H,40,41);2-4,7-18,22H,5-6,19-21H2,1H3,(H,40,41);2-4,7-18,22H,5-6,19-21H2,1H3,(H,37,38)(H,39,40);2-9,12-17,20-21,25H,10-11,18-19,22-23H2,1H3,(H,37,38)
InChIKeyZAOXLYZBRCFLLD-UHFFFAOYSA-N
XLogP31.78
TPSA316.98 Ų
H-Bond Donors5
H-Bond Acceptors21
Rotatable Bonds46
Heavy Atoms172
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002316.64
LogP ≤ 531.78
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1021

Analyze 5-[(4-tert-butylphenyl)methoxy]-3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;5-[(4-carboxyphenyl)methoxy]-3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]-5-(2-phenylethoxy)indole-2-carboxylic acid;3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]-5-[[4-(trifluoromethyl)phenyl]methoxy]indole-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4-Carboxyphenyl)methyl]-5-[3-(4-octylphenoxy)-2-oxopropoxy]indole-2-carboxylic acid
CID 44452261
1-[[4-[[3,5-Bis(trifluoromethyl)phenoxy]methyl]phenyl]methyl]-5-phenylmethoxyindole-2-carboxylic acid
CID 9894926
3-[4-(Cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]-5-[[3-(trifluoromethyl)phenyl]methoxy]indole-2-carboxylic acid
CID 10232422
3-[4-(Cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]-5-[[4-(trifluoromethyl)phenyl]methoxy]indole-2-carboxylic acid
CID 10232423
5-phenylmethoxy-1-[[4-(trifluoromethyl)phenyl]methyl]indole-2-carboxylic Acid
CID 11597047
Ethyl 3-(4-ethoxyphenyl)-1-(4-fluorobenzyl)-5-hydroxy-1H-indole-2-carboxylate
CID 22676765
3-(4-Tert-butylphenyl)-1-[[3-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]methyl]indole-2-carboxylic acid
CID 24946918
3-(4-Tert-butylphenyl)-1-[[3-(cyclopropylmethoxy)-5-(trifluoromethyl)phenyl]methyl]indole-2-carboxylic acid
CID 24946919
Ethyl 3-(4-methoxyphenyl)-5-phenylmethoxy-1-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxylate
CID 59066161
3-[3-(Cyclopropylmethoxy)phenyl]-1-[[3-(trifluoromethoxy)phenyl]methyl]indole-2-carboxylic acid
CID 59066213
3-[4-(Cyclopropylmethoxy)phenyl]-1-[[3-(trifluoromethoxy)phenyl]methyl]indole-2-carboxylic acid
CID 59066266
5-(Benzyloxy)-1-(3-(1-naphthyloxy)propyl)-3-(2-(trifluoromethyl)phenyl)-1h-indole-2-carboxylic acid
CID 67316305

Frequently Asked Questions

What is the IUPAC name of 5-[(4-tert-butylphenyl)methoxy]-3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;5-[(4-carboxyphenyl)methoxy]-3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]-5-(2-phenylethoxy)indole-2-carboxylic acid;3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]-5-[[4-(trifluoromethyl)phenyl]methoxy]indole-2-carboxylic acid?
The IUPAC name of 5-[(4-tert-butylphenyl)methoxy]-3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;5-[(4-carboxyphenyl)methoxy]-3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]-5-(2-phenylethoxy)indole-2-carboxylic acid;3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]-5-[[4-(trifluoromethyl)phenyl]methoxy]indole-2-carboxylic acid (CID 162067008) is 5-[(4-tert-butylphenyl)methoxy]-3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;5-[(4-carboxyphenyl)methoxy]-3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]-5-(2-phenylethoxy)indole-2-carboxylic acid;3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]-5-[[4-(trifluoromethyl)phenyl]methoxy]indole-2-carboxylic acid.
What is the SMILES notation for 5-[(4-tert-butylphenyl)methoxy]-3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;5-[(4-carboxyphenyl)methoxy]-3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]-5-(2-phenylethoxy)indole-2-carboxylic acid;3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]-5-[[4-(trifluoromethyl)phenyl]methoxy]indole-2-carboxylic acid?
The canonical SMILES for 5-[(4-tert-butylphenyl)methoxy]-3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;5-[(4-carboxyphenyl)methoxy]-3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]-5-(2-phenylethoxy)indole-2-carboxylic acid;3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]-5-[[4-(trifluoromethyl)phenyl]methoxy]indole-2-carboxylic acid is COc1cccc(Cn2c(C(=O)O)c(-c3ccc(OCC4CC4)cc3)c3cc(OCCc4ccccc4)ccc32)c1.COc1cccc(Cn2c(C(=O)O)c(-c3ccc(OCC4CC4)cc3)c3cc(OCc4ccc(C(=O)O)cc4)ccc32)c1.COc1cccc(Cn2c(C(=O)O)c(-c3ccc(OCC4CC4)cc3)c3cc(OCc4ccc(C(C)(C)C)cc4)ccc32)c1.COc1cccc(Cn2c(C(=O)O)c(-c3ccc(OCC4CC4)cc3)c3cc(OCc4ccc(C(F)(F)F)cc4)ccc32)c1.
What is the InChIKey of 5-[(4-tert-butylphenyl)methoxy]-3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;5-[(4-carboxyphenyl)methoxy]-3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]-5-(2-phenylethoxy)indole-2-carboxylic acid;3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]-5-[[4-(trifluoromethyl)phenyl]methoxy]indole-2-carboxylic acid?
The InChIKey is ZAOXLYZBRCFLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H39NO5.C35H30F3NO5.C35H31NO7.C35H33NO5/c1-38(2,3)29-14-10-26(11-15-29)24-44-32-18-19-34-33(21-32)35(28-12-16-30(17-13-28)43-23-25-8-9-25)36(37(40)41)39(34)22-27-6-5-7-31(20-27)42-4;1-42-28-4-2-3-24(17-28)19-39-31-16-15-29(44-21-23-7-11-26(12-8-23)35(36,37)38)18-30(31)32(33(39)34(40)41)25-9-13-27(14-10-25)43-20-22-5-6-22;1-41-28-4-2-3-24(17-28)19-36-31-16-15-29(43-21-23-7-9-26(10-8-23)34(37)38)18-30(31)32(33(36)35(39)40)25-11-13-27(14-12-25)42-20-22-5-6-22;1-39-29-9-5-8-26(20-29)22-36-32-17-16-30(40-19-18-24-6-3-2-4-7-24)21-31(32)33(34(36)35(37)38)27-12-14-28(15-13-27)41-23-25-10-11-25/h5-7,10-21,25H,8-9,22-24H2,1-4H3,(H,40,41);2-4,7-18,22H,5-6,19-21H2,1H3,(H,40,41);2-4,7-18,22H,5-6,19-21H2,1H3,(H,37,38)(H,39,40);2-9,12-17,20-21,25H,10-11,18-19,22-23H2,1H3,(H,37,38).
What are the key properties of 5-[(4-tert-butylphenyl)methoxy]-3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;5-[(4-carboxyphenyl)methoxy]-3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]-5-(2-phenylethoxy)indole-2-carboxylic acid;3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]-5-[[4-(trifluoromethyl)phenyl]methoxy]indole-2-carboxylic acid?
5-[(4-tert-butylphenyl)methoxy]-3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;5-[(4-carboxyphenyl)methoxy]-3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]-5-(2-phenylethoxy)indole-2-carboxylic acid;3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]-5-[[4-(trifluoromethyl)phenyl]methoxy]indole-2-carboxylic acid has a molecular weight of 2316.64 g/mol, XLogP of 31.78, 46 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-tert-butylphenyl)methoxy]-3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;5-[(4-carboxyphenyl)methoxy]-3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]-5-(2-phenylethoxy)indole-2-carboxylic acid;3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]-5-[[4-(trifluoromethyl)phenyl]methoxy]indole-2-carboxylic acid is sourced from PubChem (CID 162067008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).