3-[3-(cyclopentanecarbonylamino)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-[3-(cyclopropylcarbamoylamino)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-[3-(cyclopropylmethoxy)phenyl]-1-[[3-(trifluoromethoxy)phenyl]methyl]indole-2-carboxylic acid;3-[4-(cyclopropylmethoxy)phenyl]-1-[[3-(trifluoromethoxy)phenyl]methyl]indole-2-carboxylic acid

C110H97F6N7O16 — CID 159586237

IUPAC3-[3-(cyclopentanecarbonylamino)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-[3-(cyclopropylcarbamoylamino)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-[3-(cyclopropylmethoxy)phenyl]-1-[[3-(trifluoromethoxy)phenyl]methyl]indole-2-carboxylic acid;3-[4-(cyclopropylmethoxy)phenyl]-1-[[3-(trifluoromethoxy)phenyl]methyl]indole-2-carboxylic acid
SMILESCOc1cccc(Cn2c(C(=O)O)c(-c3cccc(NC(=O)C4CCCC4)c3)c3ccccc32)c1.COc1cccc(Cn2c(C(=O)O)c(-c3cccc(NC(=O)NC4CC4)c3)c3ccccc32)c1.O=C(O)c1c(-c2ccc(OCC3CC3)cc2)c2ccccc2n1Cc1cccc(OC(F)(F)F)c1.O=C(O)c1c(-c2cccc(OCC3CC3)c2)c2ccccc2n1Cc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C29H28N2O4.2C27H22F3NO4.C27H25N3O4/c1-35-23-13-6-8-19(16-23)18-31-25-15-5-4-14-24(25)26(27(31)29(33)34)21-11-7-12-22(17-21)30-28(32)20-9-2-3-10-20;28-27(29,30)35-21-8-3-5-18(13-21)15-31-23-10-2-1-9-22(23)24(25(31)26(32)33)19-6-4-7-20(14-19)34-16-17-11-12-17;28-27(29,30)35-21-5-3-4-18(14-21)15-31-23-7-2-1-6-22(23)24(25(31)26(32)33)19-10-12-20(13-11-19)34-16-17-8-9-17;1-34-21-9-4-6-17(14-21)16-30-23-11-3-2-10-22(23)24(25(30)26(31)32)18-7-5-8-20(15-18)29-27(33)28-19-12-13-19/h4-8,11-17,20H,2-3,9-10,18H2,1H3,(H,30,32)(H,33,34);1-10,13-14,17H,11-12,15-16H2,(H,32,33);1-7,10-14,17H,8-9,15-16H2,(H,32,33);2-11,14-15,19H,12-13,16H2,1H3,(H,31,32)(H2,28,29,33)
InChIKeyMJQPHORGDYRTKF-UHFFFAOYSA-N
MW1887.01 g/mol
LogP25.02
Rot. Bonds30

About 3-[3-(cyclopentanecarbonylamino)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-[3-(cyclopropylcarbamoylamino)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-[3-(cyclopropylmethoxy)phenyl]-1-[[3-(trifluoromethoxy)phenyl]methyl]indole-2-carboxylic acid;3-[4-(cyclopropylmethoxy)phenyl]-1-[[3-(trifluoromethoxy)phenyl]methyl]indole-2-carboxylic acid

3-[3-(cyclopentanecarbonylamino)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-[3-(cyclopropylcarbamoylamino)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-[3-(cyclopropylmethoxy)phenyl]-1-[[3-(trifluoromethoxy)phenyl]methyl]indole-2-carboxylic acid;3-[4-(cyclopropylmethoxy)phenyl]-1-[[3-(trifluoromethoxy)phenyl]methyl]indole-2-carboxylic acid (PubChem CID 159586237) has the molecular formula C110H97F6N7O16 and a molecular weight of 1887.01 g/mol. Its IUPAC name is 3-[3-(cyclopentanecarbonylamino)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-[3-(cyclopropylcarbamoylamino)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-[3-(cyclopropylmethoxy)phenyl]-1-[[3-(trifluoromethoxy)phenyl]methyl]indole-2-carboxylic acid;3-[4-(cyclopropylmethoxy)phenyl]-1-[[3-(trifluoromethoxy)phenyl]methyl]indole-2-carboxylic acid.

Molecular Properties

Compound Name3-[3-(cyclopentanecarbonylamino)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-[3-(cyclopropylcarbamoylamino)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-[3-(cyclopropylmethoxy)phenyl]-1-[[3-(trifluoromethoxy)phenyl]methyl]indole-2-carboxylic acid;3-[4-(cyclopropylmethoxy)phenyl]-1-[[3-(trifluoromethoxy)phenyl]methyl]indole-2-carboxylic acid
PubChem CID159586237
Molecular FormulaC110H97F6N7O16
Molecular Weight1887.01 g/mol
Exact Mass1885.69
IUPAC Name3-[3-(cyclopentanecarbonylamino)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-[3-(cyclopropylcarbamoylamino)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-[3-(cyclopropylmethoxy)phenyl]-1-[[3-(trifluoromethoxy)phenyl]methyl]indole-2-carboxylic acid;3-[4-(cyclopropylmethoxy)phenyl]-1-[[3-(trifluoromethoxy)phenyl]methyl]indole-2-carboxylic acid
SMILESCOc1cccc(Cn2c(C(=O)O)c(-c3cccc(NC(=O)C4CCCC4)c3)c3ccccc32)c1.COc1cccc(Cn2c(C(=O)O)c(-c3cccc(NC(=O)NC4CC4)c3)c3ccccc32)c1.O=C(O)c1c(-c2ccc(OCC3CC3)cc2)c2ccccc2n1Cc1cccc(OC(F)(F)F)c1.O=C(O)c1c(-c2cccc(OCC3CC3)c2)c2ccccc2n1Cc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C29H28N2O4.2C27H22F3NO4.C27H25N3O4/c1-35-23-13-6-8-19(16-23)18-31-25-15-5-4-14-24(25)26(27(31)29(33)34)21-11-7-12-22(17-21)30-28(32)20-9-2-3-10-20;28-27(29,30)35-21-8-3-5-18(13-21)15-31-23-10-2-1-9-22(23)24(25(31)26(32)33)19-6-4-7-20(14-19)34-16-17-11-12-17;28-27(29,30)35-21-5-3-4-18(14-21)15-31-23-7-2-1-6-22(23)24(25(31)26(32)33)19-10-12-20(13-11-19)34-16-17-8-9-17;1-34-21-9-4-6-17(14-21)16-30-23-11-3-2-10-22(23)24(25(30)26(31)32)18-7-5-8-20(15-18)29-27(33)28-19-12-13-19/h4-8,11-17,20H,2-3,9-10,18H2,1H3,(H,30,32)(H,33,34);1-10,13-14,17H,11-12,15-16H2,(H,32,33);1-7,10-14,17H,8-9,15-16H2,(H,32,33);2-11,14-15,19H,12-13,16H2,1H3,(H,31,32)(H2,28,29,33)
InChIKeyMJQPHORGDYRTKF-UHFFFAOYSA-N
XLogP25.02
TPSA294.53 Ų
H-Bond Donors7
H-Bond Acceptors16
Rotatable Bonds30
Heavy Atoms139
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001887.01
LogP ≤ 525.02
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1016

Analyze 3-[3-(cyclopentanecarbonylamino)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-[3-(cyclopropylcarbamoylamino)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-[3-(cyclopropylmethoxy)phenyl]-1-[[3-(trifluoromethoxy)phenyl]methyl]indole-2-carboxylic acid;3-[4-(cyclopropylmethoxy)phenyl]-1-[[3-(trifluoromethoxy)phenyl]methyl]indole-2-carboxylic acid with MolForge

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Related Compounds

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
bis(5-[4-[1-[(2,4-dimethylphenyl)methyl]-6-oxo-4-(trifluoromethyl)-2-pyridinyl]phenoxy]-1H-indole-2-carboxylic acid);ethane
CID 140102004
5-[2-[1,3-Benzoxazol-2-yl(methyl)amino]ethoxy]-3-(4-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;5-[3-[1,3-benzoxazol-2-yl(methyl)amino]propoxy]-3-(4-methoxyphenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxylic acid;3-(4-tert-butylphenyl)-5-(cyclopropanecarbonylamino)-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-(4-tert-butylphenyl)-5-(cyclopropylmethylamino)-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid
CID 157429512
5-(Carboxymethoxy)-3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]-5-(2-phenylmethoxyethoxy)indole-2-carboxylic acid;3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]-5-[[3-(trifluoromethyl)phenyl]methoxy]indole-2-carboxylic acid
CID 157595355
CID 157612956
CID 157612956
CID 157873949
CID 157873949
3-(4-Cyclopropylphenyl)-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-(4-cyclopropylphenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxylic acid;3-[4-(furan-2-yl)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid
CID 158261569
1-[[3-(Cyclopropylmethoxy)phenyl]methyl]-3-(3-methylphenyl)indole-2-carboxylic acid;3-[3-(cyclopropylmethoxy)phenyl]-1-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxylic acid;3-[4-(cyclopropylmethoxy)phenyl]-1-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxylic acid
CID 159089070
3-[3-[Cyclopropanecarbonyl(methyl)amino]phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-[4-(cyclopropylmethoxy)phenyl]-1-[[3-(trifluoromethoxy)phenyl]methyl]indole-2-carboxylic acid;3-(4-cyclopropylsulfanylphenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxylic acid
CID 159310467
1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-6-ethoxyindole-3-carboxamide;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-N-cyclopropyl-6-(oxan-4-yloxy)indole-3-carboxamide;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-6-ethoxyindole-3-carboxylic acid;1-cyclobutyl-2-[4-(cyclobutylcarbamoylamino)phenyl]-6-(oxan-4-yloxy)indole-3-carboxylic acid;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(difluoromethyl)-6-ethoxyindol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-(difluoromethyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-3-formyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]urea;1-cyclobutyl-3-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(trifluoromethyl)indol-2-yl]phenyl]urea
CID 159505397
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
3-[3-(Cyclopentanecarbonylamino)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-[3-(cyclopropylcarbamoylamino)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-[3-(cyclopropylmethoxy)phenyl]-1-[(4-fluorophenyl)methyl]indole-2-carboxylic acid;3-[3-(cyclopropylmethoxy)phenyl]-1-[[3-(trifluoromethoxy)phenyl]methyl]indole-2-carboxylic acid
CID 160330564

Frequently Asked Questions

What is the IUPAC name of 3-[3-(cyclopentanecarbonylamino)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-[3-(cyclopropylcarbamoylamino)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-[3-(cyclopropylmethoxy)phenyl]-1-[[3-(trifluoromethoxy)phenyl]methyl]indole-2-carboxylic acid;3-[4-(cyclopropylmethoxy)phenyl]-1-[[3-(trifluoromethoxy)phenyl]methyl]indole-2-carboxylic acid?
The IUPAC name of 3-[3-(cyclopentanecarbonylamino)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-[3-(cyclopropylcarbamoylamino)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-[3-(cyclopropylmethoxy)phenyl]-1-[[3-(trifluoromethoxy)phenyl]methyl]indole-2-carboxylic acid;3-[4-(cyclopropylmethoxy)phenyl]-1-[[3-(trifluoromethoxy)phenyl]methyl]indole-2-carboxylic acid (CID 159586237) is 3-[3-(cyclopentanecarbonylamino)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-[3-(cyclopropylcarbamoylamino)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-[3-(cyclopropylmethoxy)phenyl]-1-[[3-(trifluoromethoxy)phenyl]methyl]indole-2-carboxylic acid;3-[4-(cyclopropylmethoxy)phenyl]-1-[[3-(trifluoromethoxy)phenyl]methyl]indole-2-carboxylic acid.
What is the SMILES notation for 3-[3-(cyclopentanecarbonylamino)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-[3-(cyclopropylcarbamoylamino)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-[3-(cyclopropylmethoxy)phenyl]-1-[[3-(trifluoromethoxy)phenyl]methyl]indole-2-carboxylic acid;3-[4-(cyclopropylmethoxy)phenyl]-1-[[3-(trifluoromethoxy)phenyl]methyl]indole-2-carboxylic acid?
The canonical SMILES for 3-[3-(cyclopentanecarbonylamino)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-[3-(cyclopropylcarbamoylamino)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-[3-(cyclopropylmethoxy)phenyl]-1-[[3-(trifluoromethoxy)phenyl]methyl]indole-2-carboxylic acid;3-[4-(cyclopropylmethoxy)phenyl]-1-[[3-(trifluoromethoxy)phenyl]methyl]indole-2-carboxylic acid is COc1cccc(Cn2c(C(=O)O)c(-c3cccc(NC(=O)C4CCCC4)c3)c3ccccc32)c1.COc1cccc(Cn2c(C(=O)O)c(-c3cccc(NC(=O)NC4CC4)c3)c3ccccc32)c1.O=C(O)c1c(-c2ccc(OCC3CC3)cc2)c2ccccc2n1Cc1cccc(OC(F)(F)F)c1.O=C(O)c1c(-c2cccc(OCC3CC3)c2)c2ccccc2n1Cc1cccc(OC(F)(F)F)c1.
What is the InChIKey of 3-[3-(cyclopentanecarbonylamino)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-[3-(cyclopropylcarbamoylamino)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-[3-(cyclopropylmethoxy)phenyl]-1-[[3-(trifluoromethoxy)phenyl]methyl]indole-2-carboxylic acid;3-[4-(cyclopropylmethoxy)phenyl]-1-[[3-(trifluoromethoxy)phenyl]methyl]indole-2-carboxylic acid?
The InChIKey is MJQPHORGDYRTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N2O4.2C27H22F3NO4.C27H25N3O4/c1-35-23-13-6-8-19(16-23)18-31-25-15-5-4-14-24(25)26(27(31)29(33)34)21-11-7-12-22(17-21)30-28(32)20-9-2-3-10-20;28-27(29,30)35-21-8-3-5-18(13-21)15-31-23-10-2-1-9-22(23)24(25(31)26(32)33)19-6-4-7-20(14-19)34-16-17-11-12-17;28-27(29,30)35-21-5-3-4-18(14-21)15-31-23-7-2-1-6-22(23)24(25(31)26(32)33)19-10-12-20(13-11-19)34-16-17-8-9-17;1-34-21-9-4-6-17(14-21)16-30-23-11-3-2-10-22(23)24(25(30)26(31)32)18-7-5-8-20(15-18)29-27(33)28-19-12-13-19/h4-8,11-17,20H,2-3,9-10,18H2,1H3,(H,30,32)(H,33,34);1-10,13-14,17H,11-12,15-16H2,(H,32,33);1-7,10-14,17H,8-9,15-16H2,(H,32,33);2-11,14-15,19H,12-13,16H2,1H3,(H,31,32)(H2,28,29,33).
What are the key properties of 3-[3-(cyclopentanecarbonylamino)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-[3-(cyclopropylcarbamoylamino)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-[3-(cyclopropylmethoxy)phenyl]-1-[[3-(trifluoromethoxy)phenyl]methyl]indole-2-carboxylic acid;3-[4-(cyclopropylmethoxy)phenyl]-1-[[3-(trifluoromethoxy)phenyl]methyl]indole-2-carboxylic acid?
3-[3-(cyclopentanecarbonylamino)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-[3-(cyclopropylcarbamoylamino)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-[3-(cyclopropylmethoxy)phenyl]-1-[[3-(trifluoromethoxy)phenyl]methyl]indole-2-carboxylic acid;3-[4-(cyclopropylmethoxy)phenyl]-1-[[3-(trifluoromethoxy)phenyl]methyl]indole-2-carboxylic acid has a molecular weight of 1887.01 g/mol, XLogP of 25.02, 30 rotatable bonds, 7 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(cyclopentanecarbonylamino)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-[3-(cyclopropylcarbamoylamino)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid;3-[3-(cyclopropylmethoxy)phenyl]-1-[[3-(trifluoromethoxy)phenyl]methyl]indole-2-carboxylic acid;3-[4-(cyclopropylmethoxy)phenyl]-1-[[3-(trifluoromethoxy)phenyl]methyl]indole-2-carboxylic acid is sourced from PubChem (CID 159586237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).