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

C79H64F3N3O9 — CID 158261569

About 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

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 (PubChem CID 158261569) has the molecular formula C79H64F3N3O9 and a molecular weight of 1256.39 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 158261569
• Molecular Formula: C79H64F3N3O9
• Molecular Weight: 1256.39 g/mol
• Exact Mass: 1255.46
• IUPAC Name: 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
• SMILES: COc1cccc(Cn2c(C(=O)O)c(-c3ccc(-c4ccco4)cc3)c3ccccc32)c1.COc1cccc(Cn2c(C(=O)O)c(-c3ccc(C4CC4)cc3)c3ccccc32)c1.O=C(O)c1c(-c2ccc(C3CC3)cc2)c2ccccc2n1Cc1cccc(C(F)(F)F)c1
• InChI: InChI=1S/C27H21NO4.C26H20F3NO2.C26H23NO3/c1-31-21-7-4-6-18(16-21)17-28-23-9-3-2-8-22(23)25(26(28)27(29)30)20-13-11-19(12-14-20)24-10-5-15-32-24;27-26(28,29)20-5-3-4-16(14-20)15-30-22-7-2-1-6-21(22)23(24(30)25(31)32)19-12-10-18(11-13-19)17-8-9-17;1-30-21-6-4-5-17(15-21)16-27-23-8-3-2-7-22(23)24(25(27)26(28)29)20-13-11-19(12-14-20)18-9-10-18/h2-16H,17H2,1H3,(H,29,30);1-7,10-14,17H,8-9,15H2,(H,31,32);2-8,11-15,18H,9-10,16H2,1H3,(H,28,29)
• InChIKey: GHXUTIQHGXWOJO-UHFFFAOYSA-N
• XLogP: 19.22
• TPSA: 158.29 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 17
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1256.39
LogP ≤ 5	19.22
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is COc1cccc(Cn2c(C(=O)O)c(-c3ccc(-c4ccco4)cc3)c3ccccc32)c1.COc1cccc(Cn2c(C(=O)O)c(-c3ccc(C4CC4)cc3)c3ccccc32)c1.O=C(O)c1c(-c2ccc(C3CC3)cc2)c2ccccc2n1Cc1cccc(C(F)(F)F)c1.

What is the InChIKey of 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?

The InChIKey is GHXUTIQHGXWOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21NO4.C26H20F3NO2.C26H23NO3/c1-31-21-7-4-6-18(16-21)17-28-23-9-3-2-8-22(23)25(26(28)27(29)30)20-13-11-19(12-14-20)24-10-5-15-32-24;27-26(28,29)20-5-3-4-16(14-20)15-30-22-7-2-1-6-21(22)23(24(30)25(31)32)19-12-10-18(11-13-19)17-8-9-17;1-30-21-6-4-5-17(15-21)16-27-23-8-3-2-7-22(23)24(25(27)26(28)29)20-13-11-19(12-14-20)18-9-10-18/h2-16H,17H2,1H3,(H,29,30);1-7,10-14,17H,8-9,15H2,(H,31,32);2-8,11-15,18H,9-10,16H2,1H3,(H,28,29).

What are the key properties of 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?

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 has a molecular weight of 1256.39 g/mol, XLogP of 19.22, 17 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 158261569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).