4-[2-carboxy-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrol-3-yl]-5-chloro-1H-indole-2-carboxylic acid;3-[1-(carboxymethyl)-6-methylindol-4-yl]-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;3-[1-(carboxymethyl)-6-propan-2-ylindol-4-yl]-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;3-(5-chloro-1H-indol-4-yl)-5-[2-(hydroxymethyl)-1H-indol-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylic acid

C106H93Cl2F3N12O15 — CID 164968462

IUPAC4-[2-carboxy-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrol-3-yl]-5-chloro-1H-indole-2-carboxylic acid;3-[1-(carboxymethyl)-6-methylindol-4-yl]-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;3-[1-(carboxymethyl)-6-propan-2-ylindol-4-yl]-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;3-(5-chloro-1H-indol-4-yl)-5-[2-(hydroxymethyl)-1H-indol-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylic acid
SMILESCC(C)c1c(-c2cc(F)cc3[nH]ccc23)[nH]c(C(=O)O)c1-c1c(Cl)ccc2[nH]c(C(=O)O)cc12.CC(C)c1c(-c2cccc3[nH]c(CO)cc23)[nH]c(C(=O)O)c1-c1c(Cl)ccc2[nH]ccc12.CC(C)c1cc(-c2c(C(=O)O)[nH]c(-c3cc(F)cc4[nH]ccc34)c2C(C)C)c2ccn(CC(=O)O)c2c1.Cc1cc(-c2c(C(=O)O)[nH]c(-c3cc(F)cc4[nH]ccc34)c2C(C)C)c2ccn(CC(=O)O)c2c1
InChIInChI=1S/C29H28FN3O4.C27H24FN3O4.C25H19ClFN3O4.C25H22ClN3O3/c1-14(2)16-9-20(19-6-8-33(13-24(34)35)23(19)10-16)26-25(15(3)4)27(32-28(26)29(36)37)21-11-17(30)12-22-18(21)5-7-31-22;1-13(2)23-24(18-8-14(3)9-21-17(18)5-7-31(21)12-22(32)33)26(27(34)35)30-25(23)19-10-15(28)11-20-16(19)4-6-29-20;1-10(2)19-21(20-14-9-18(24(31)32)29-16(14)4-3-15(20)26)23(25(33)34)30-22(19)13-7-11(27)8-17-12(13)5-6-28-17;1-12(2)20-22(21-15-8-9-27-18(15)7-6-17(21)26)24(25(31)32)29-23(20)14-4-3-5-19-16(14)10-13(11-30)28-19/h5-12,14-15,31-32H,13H2,1-4H3,(H,34,35)(H,36,37);4-11,13,29-30H,12H2,1-3H3,(H,32,33)(H,34,35);3-10,28-30H,1-2H3,(H,31,32)(H,33,34);3-10,12,27-30H,11H2,1-2H3,(H,31,32)
InChIKeyCUGXDBNUPWUAAO-UHFFFAOYSA-N
MW1902.88 g/mol
LogP25.99
Rot. Bonds23

About 4-[2-carboxy-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrol-3-yl]-5-chloro-1H-indole-2-carboxylic acid;3-[1-(carboxymethyl)-6-methylindol-4-yl]-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;3-[1-(carboxymethyl)-6-propan-2-ylindol-4-yl]-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;3-(5-chloro-1H-indol-4-yl)-5-[2-(hydroxymethyl)-1H-indol-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylic acid

4-[2-carboxy-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrol-3-yl]-5-chloro-1H-indole-2-carboxylic acid;3-[1-(carboxymethyl)-6-methylindol-4-yl]-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;3-[1-(carboxymethyl)-6-propan-2-ylindol-4-yl]-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;3-(5-chloro-1H-indol-4-yl)-5-[2-(hydroxymethyl)-1H-indol-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylic acid (PubChem CID 164968462) has the molecular formula C106H93Cl2F3N12O15 and a molecular weight of 1902.88 g/mol. Its IUPAC name is 4-[2-carboxy-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrol-3-yl]-5-chloro-1H-indole-2-carboxylic acid;3-[1-(carboxymethyl)-6-methylindol-4-yl]-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;3-[1-(carboxymethyl)-6-propan-2-ylindol-4-yl]-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;3-(5-chloro-1H-indol-4-yl)-5-[2-(hydroxymethyl)-1H-indol-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-[2-carboxy-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrol-3-yl]-5-chloro-1H-indole-2-carboxylic acid;3-[1-(carboxymethyl)-6-methylindol-4-yl]-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;3-[1-(carboxymethyl)-6-propan-2-ylindol-4-yl]-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;3-(5-chloro-1H-indol-4-yl)-5-[2-(hydroxymethyl)-1H-indol-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylic acid
PubChem CID164968462
Molecular FormulaC106H93Cl2F3N12O15
Molecular Weight1902.88 g/mol
Exact Mass1900.62
IUPAC Name4-[2-carboxy-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrol-3-yl]-5-chloro-1H-indole-2-carboxylic acid;3-[1-(carboxymethyl)-6-methylindol-4-yl]-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;3-[1-(carboxymethyl)-6-propan-2-ylindol-4-yl]-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;3-(5-chloro-1H-indol-4-yl)-5-[2-(hydroxymethyl)-1H-indol-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylic acid
SMILESCC(C)c1c(-c2cc(F)cc3[nH]ccc23)[nH]c(C(=O)O)c1-c1c(Cl)ccc2[nH]c(C(=O)O)cc12.CC(C)c1c(-c2cccc3[nH]c(CO)cc23)[nH]c(C(=O)O)c1-c1c(Cl)ccc2[nH]ccc12.CC(C)c1cc(-c2c(C(=O)O)[nH]c(-c3cc(F)cc4[nH]ccc34)c2C(C)C)c2ccn(CC(=O)O)c2c1.Cc1cc(-c2c(C(=O)O)[nH]c(-c3cc(F)cc4[nH]ccc34)c2C(C)C)c2ccn(CC(=O)O)c2c1
InChIInChI=1S/C29H28FN3O4.C27H24FN3O4.C25H19ClFN3O4.C25H22ClN3O3/c1-14(2)16-9-20(19-6-8-33(13-24(34)35)23(19)10-16)26-25(15(3)4)27(32-28(26)29(36)37)21-11-17(30)12-22-18(21)5-7-31-22;1-13(2)23-24(18-8-14(3)9-21-17(18)5-7-31(21)12-22(32)33)26(27(34)35)30-25(23)19-10-15(28)11-20-16(19)4-6-29-20;1-10(2)19-21(20-14-9-18(24(31)32)29-16(14)4-3-15(20)26)23(25(33)34)30-22(19)13-7-11(27)8-17-12(13)5-6-28-17;1-12(2)20-22(21-15-8-9-27-18(15)7-6-17(21)26)24(25(31)32)29-23(20)14-4-3-5-19-16(14)10-13(11-30)28-19/h5-12,14-15,31-32H,13H2,1-4H3,(H,34,35)(H,36,37);4-11,13,29-30H,12H2,1-3H3,(H,32,33)(H,34,35);3-10,28-30H,1-2H3,(H,31,32)(H,33,34);3-10,12,27-30H,11H2,1-2H3,(H,31,32)
InChIKeyCUGXDBNUPWUAAO-UHFFFAOYSA-N
XLogP25.99
TPSA449.09 Ų
H-Bond Donors18
H-Bond Acceptors10
Rotatable Bonds23
Heavy Atoms138
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001902.88
LogP ≤ 525.99
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Analyze 4-[2-carboxy-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrol-3-yl]-5-chloro-1H-indole-2-carboxylic acid;3-[1-(carboxymethyl)-6-methylindol-4-yl]-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;3-[1-(carboxymethyl)-6-propan-2-ylindol-4-yl]-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;3-(5-chloro-1H-indol-4-yl)-5-[2-(hydroxymethyl)-1H-indol-4-yl]-4-propan-2-yl-1H-pyrrole-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

3-[1-(2-amino-2-oxoethyl)-6-methylindol-4-yl]-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid
CID 164964489
3-(2-carbamoyl-1H-indol-4-yl)-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid
CID 146350437
5-(6-fluoro-1H-indol-4-yl)-3-[6-methyl-1-[4-oxo-4-(1,3-thiazol-2-yl)butyl]indol-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylic acid
CID 162114239
2-[4-[2-carboxy-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrol-3-yl]indol-1-yl]ethanesulfinate
CID 153319411
3-(5-chloro-1H-indol-4-yl)-5-(3-methyl-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid
CID 146350216
5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-3-[1-[2-(sulfinomethylamino)ethyl]indol-4-yl]-1H-pyrrole-2-carboxylic acid
CID 153319414
5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-3-(2-sulfamoyl-1H-indol-4-yl)-1H-pyrrole-2-carboxylic acid
CID 146350258
5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-3-[2-(2H-tetrazol-5-yl)-1H-indol-4-yl]-1H-pyrrole-2-carboxylic acid
CID 146350371
5-(1-aminoindol-4-yl)-3-(1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid
CID 146350248
5-(1H-indol-4-yl)-3-(5-methyl-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid
CID 164948500
lithium;3-(5-chloro-1H-indol-4-yl)-5-(1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;ethyl 3-[5-chloro-1-(4-methylphenyl)sulfonylindol-4-yl]-5-(1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylate;methane;hydroxide
CID 158460955
5-(6-fluoro-1H-indol-4-yl)-3-(2-formyloxy-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid
CID 153319416

Frequently Asked Questions

What is the IUPAC name of 4-[2-carboxy-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrol-3-yl]-5-chloro-1H-indole-2-carboxylic acid;3-[1-(carboxymethyl)-6-methylindol-4-yl]-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;3-[1-(carboxymethyl)-6-propan-2-ylindol-4-yl]-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;3-(5-chloro-1H-indol-4-yl)-5-[2-(hydroxymethyl)-1H-indol-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 4-[2-carboxy-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrol-3-yl]-5-chloro-1H-indole-2-carboxylic acid;3-[1-(carboxymethyl)-6-methylindol-4-yl]-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;3-[1-(carboxymethyl)-6-propan-2-ylindol-4-yl]-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;3-(5-chloro-1H-indol-4-yl)-5-[2-(hydroxymethyl)-1H-indol-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylic acid (CID 164968462) is 4-[2-carboxy-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrol-3-yl]-5-chloro-1H-indole-2-carboxylic acid;3-[1-(carboxymethyl)-6-methylindol-4-yl]-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;3-[1-(carboxymethyl)-6-propan-2-ylindol-4-yl]-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;3-(5-chloro-1H-indol-4-yl)-5-[2-(hydroxymethyl)-1H-indol-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-[2-carboxy-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrol-3-yl]-5-chloro-1H-indole-2-carboxylic acid;3-[1-(carboxymethyl)-6-methylindol-4-yl]-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;3-[1-(carboxymethyl)-6-propan-2-ylindol-4-yl]-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;3-(5-chloro-1H-indol-4-yl)-5-[2-(hydroxymethyl)-1H-indol-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 4-[2-carboxy-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrol-3-yl]-5-chloro-1H-indole-2-carboxylic acid;3-[1-(carboxymethyl)-6-methylindol-4-yl]-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;3-[1-(carboxymethyl)-6-propan-2-ylindol-4-yl]-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;3-(5-chloro-1H-indol-4-yl)-5-[2-(hydroxymethyl)-1H-indol-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylic acid is CC(C)c1c(-c2cc(F)cc3[nH]ccc23)[nH]c(C(=O)O)c1-c1c(Cl)ccc2[nH]c(C(=O)O)cc12.CC(C)c1c(-c2cccc3[nH]c(CO)cc23)[nH]c(C(=O)O)c1-c1c(Cl)ccc2[nH]ccc12.CC(C)c1cc(-c2c(C(=O)O)[nH]c(-c3cc(F)cc4[nH]ccc34)c2C(C)C)c2ccn(CC(=O)O)c2c1.Cc1cc(-c2c(C(=O)O)[nH]c(-c3cc(F)cc4[nH]ccc34)c2C(C)C)c2ccn(CC(=O)O)c2c1.
What is the InChIKey of 4-[2-carboxy-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrol-3-yl]-5-chloro-1H-indole-2-carboxylic acid;3-[1-(carboxymethyl)-6-methylindol-4-yl]-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;3-[1-(carboxymethyl)-6-propan-2-ylindol-4-yl]-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;3-(5-chloro-1H-indol-4-yl)-5-[2-(hydroxymethyl)-1H-indol-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylic acid?
The InChIKey is CUGXDBNUPWUAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28FN3O4.C27H24FN3O4.C25H19ClFN3O4.C25H22ClN3O3/c1-14(2)16-9-20(19-6-8-33(13-24(34)35)23(19)10-16)26-25(15(3)4)27(32-28(26)29(36)37)21-11-17(30)12-22-18(21)5-7-31-22;1-13(2)23-24(18-8-14(3)9-21-17(18)5-7-31(21)12-22(32)33)26(27(34)35)30-25(23)19-10-15(28)11-20-16(19)4-6-29-20;1-10(2)19-21(20-14-9-18(24(31)32)29-16(14)4-3-15(20)26)23(25(33)34)30-22(19)13-7-11(27)8-17-12(13)5-6-28-17;1-12(2)20-22(21-15-8-9-27-18(15)7-6-17(21)26)24(25(31)32)29-23(20)14-4-3-5-19-16(14)10-13(11-30)28-19/h5-12,14-15,31-32H,13H2,1-4H3,(H,34,35)(H,36,37);4-11,13,29-30H,12H2,1-3H3,(H,32,33)(H,34,35);3-10,28-30H,1-2H3,(H,31,32)(H,33,34);3-10,12,27-30H,11H2,1-2H3,(H,31,32).
What are the key properties of 4-[2-carboxy-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrol-3-yl]-5-chloro-1H-indole-2-carboxylic acid;3-[1-(carboxymethyl)-6-methylindol-4-yl]-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;3-[1-(carboxymethyl)-6-propan-2-ylindol-4-yl]-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;3-(5-chloro-1H-indol-4-yl)-5-[2-(hydroxymethyl)-1H-indol-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylic acid?
4-[2-carboxy-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrol-3-yl]-5-chloro-1H-indole-2-carboxylic acid;3-[1-(carboxymethyl)-6-methylindol-4-yl]-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;3-[1-(carboxymethyl)-6-propan-2-ylindol-4-yl]-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;3-(5-chloro-1H-indol-4-yl)-5-[2-(hydroxymethyl)-1H-indol-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylic acid has a molecular weight of 1902.88 g/mol, XLogP of 25.99, 23 rotatable bonds, 18 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-carboxy-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrol-3-yl]-5-chloro-1H-indole-2-carboxylic acid;3-[1-(carboxymethyl)-6-methylindol-4-yl]-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;3-[1-(carboxymethyl)-6-propan-2-ylindol-4-yl]-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;3-(5-chloro-1H-indol-4-yl)-5-[2-(hydroxymethyl)-1H-indol-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 164968462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).