3-[5-(carboxymethoxy)-2-chlorophenyl]-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-3-(4-phenoxyphenyl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-3-[3-(1,3-thiazol-2-yloxy)phenyl]-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-3-[4-(1,3-thiazol-2-yloxy)phenyl]-1H-pyrrole-2-carboxylic acid

C102H83ClF4N10O14S2 — CID 165003617

IUPAC3-[5-(carboxymethoxy)-2-chlorophenyl]-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-3-(4-phenoxyphenyl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-3-[3-(1,3-thiazol-2-yloxy)phenyl]-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-3-[4-(1,3-thiazol-2-yloxy)phenyl]-1H-pyrrole-2-carboxylic acid
SMILESCC(C)c1c(-c2cc(F)cc3[nH]ccc23)[nH]c(C(=O)O)c1-c1cc(OCC(=O)O)ccc1Cl.CC(C)c1c(-c2cc(F)cc3[nH]ccc23)[nH]c(C(=O)O)c1-c1ccc(Oc2ccccc2)cc1.CC(C)c1c(-c2cc(F)cc3[nH]ccc23)[nH]c(C(=O)O)c1-c1ccc(Oc2nccs2)cc1.CC(C)c1c(-c2cc(F)cc3[nH]ccc23)[nH]c(C(=O)O)c1-c1cccc(Oc2nccs2)c1
InChIInChI=1S/C28H23FN2O3.2C25H20FN3O3S.C24H20ClFN2O5/c1-16(2)24-25(17-8-10-20(11-9-17)34-19-6-4-3-5-7-19)27(28(32)33)31-26(24)22-14-18(29)15-23-21(22)12-13-30-23;1-13(2)20-21(14-3-5-16(6-4-14)32-25-28-9-10-33-25)23(24(30)31)29-22(20)18-11-15(26)12-19-17(18)7-8-27-19;1-13(2)20-21(14-4-3-5-16(10-14)32-25-28-8-9-33-25)23(24(30)31)29-22(20)18-11-15(26)12-19-17(18)6-7-27-19;1-11(2)20-21(16-9-13(3-4-17(16)25)33-10-19(29)30)23(24(31)32)28-22(20)15-7-12(26)8-18-14(15)5-6-27-18/h3-16,30-31H,1-2H3,(H,32,33);2*3-13,27,29H,1-2H3,(H,30,31);3-9,11,27-28H,10H2,1-2H3,(H,29,30)(H,31,32)
InChIKeyIPZDZGFAICSKDK-UHFFFAOYSA-N
MW1848.42 g/mol
LogP27.57
Rot. Bonds25

About 3-[5-(carboxymethoxy)-2-chlorophenyl]-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-3-(4-phenoxyphenyl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-3-[3-(1,3-thiazol-2-yloxy)phenyl]-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-3-[4-(1,3-thiazol-2-yloxy)phenyl]-1H-pyrrole-2-carboxylic acid

3-[5-(carboxymethoxy)-2-chlorophenyl]-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-3-(4-phenoxyphenyl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-3-[3-(1,3-thiazol-2-yloxy)phenyl]-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-3-[4-(1,3-thiazol-2-yloxy)phenyl]-1H-pyrrole-2-carboxylic acid (PubChem CID 165003617) has the molecular formula C102H83ClF4N10O14S2 and a molecular weight of 1848.42 g/mol. Its IUPAC name is 3-[5-(carboxymethoxy)-2-chlorophenyl]-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-3-(4-phenoxyphenyl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-3-[3-(1,3-thiazol-2-yloxy)phenyl]-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-3-[4-(1,3-thiazol-2-yloxy)phenyl]-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name3-[5-(carboxymethoxy)-2-chlorophenyl]-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-3-(4-phenoxyphenyl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-3-[3-(1,3-thiazol-2-yloxy)phenyl]-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-3-[4-(1,3-thiazol-2-yloxy)phenyl]-1H-pyrrole-2-carboxylic acid
PubChem CID165003617
Molecular FormulaC102H83ClF4N10O14S2
Molecular Weight1848.42 g/mol
Exact Mass1846.52
IUPAC Name3-[5-(carboxymethoxy)-2-chlorophenyl]-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-3-(4-phenoxyphenyl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-3-[3-(1,3-thiazol-2-yloxy)phenyl]-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-3-[4-(1,3-thiazol-2-yloxy)phenyl]-1H-pyrrole-2-carboxylic acid
SMILESCC(C)c1c(-c2cc(F)cc3[nH]ccc23)[nH]c(C(=O)O)c1-c1cc(OCC(=O)O)ccc1Cl.CC(C)c1c(-c2cc(F)cc3[nH]ccc23)[nH]c(C(=O)O)c1-c1ccc(Oc2ccccc2)cc1.CC(C)c1c(-c2cc(F)cc3[nH]ccc23)[nH]c(C(=O)O)c1-c1ccc(Oc2nccs2)cc1.CC(C)c1c(-c2cc(F)cc3[nH]ccc23)[nH]c(C(=O)O)c1-c1cccc(Oc2nccs2)c1
InChIInChI=1S/C28H23FN2O3.2C25H20FN3O3S.C24H20ClFN2O5/c1-16(2)24-25(17-8-10-20(11-9-17)34-19-6-4-3-5-7-19)27(28(32)33)31-26(24)22-14-18(29)15-23-21(22)12-13-30-23;1-13(2)20-21(14-3-5-16(6-4-14)32-25-28-9-10-33-25)23(24(30)31)29-22(20)18-11-15(26)12-19-17(18)7-8-27-19;1-13(2)20-21(14-4-3-5-16(10-14)32-25-28-8-9-33-25)23(24(30)31)29-22(20)18-11-15(26)12-19-17(18)6-7-27-19;1-11(2)20-21(16-9-13(3-4-17(16)25)33-10-19(29)30)23(24(31)32)28-22(20)15-7-12(26)8-18-14(15)5-6-27-18/h3-16,30-31H,1-2H3,(H,32,33);2*3-13,27,29H,1-2H3,(H,30,31);3-9,11,27-28H,10H2,1-2H3,(H,29,30)(H,31,32)
InChIKeyIPZDZGFAICSKDK-UHFFFAOYSA-N
XLogP27.57
TPSA375.52 Ų
H-Bond Donors13
H-Bond Acceptors13
Rotatable Bonds25
Heavy Atoms133
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001848.42
LogP ≤ 527.57
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1013

Analyze 3-[5-(carboxymethoxy)-2-chlorophenyl]-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-3-(4-phenoxyphenyl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-3-[3-(1,3-thiazol-2-yloxy)phenyl]-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-3-[4-(1,3-thiazol-2-yloxy)phenyl]-1H-pyrrole-2-carboxylic acid with MolForge

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Related Compounds

CID 164980466
CID 164980466
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;3-[1-[2-(butanoylamino)ethyl]-6-methoxyindol-4-yl]-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-3-[6-methoxy-1-[2-(3-methoxypropanoylamino)ethyl]indol-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-3-[6-methoxy-1-[2-(1,3-thiazole-2-carbonylamino)ethyl]indol-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylic acid
CID 164981117
3-[5-(carboxymethoxy)-2-chlorophenyl]-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;3-(2-chlorophenyl)-4-ethyl-5-(1H-indol-4-yl)-1H-pyrrole-2-carboxylic acid;3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-3-[1-[2-(hept-6-ynoylamino)ethyl]indol-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-3-(4-phenoxyphenyl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-3-[3-(1,3-thiazol-2-yloxy)phenyl]-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-3-[4-(1,3-thiazol-2-yloxy)phenyl]-1H-pyrrole-2-carboxylic acid
CID 165000613
3-[6-(cyclopropylmethylcarbamoyl)-1H-inden-4-yl]-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-3-[6-(pyrrolidine-1-carbonyl)-1H-inden-4-yl]-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-3-[6-(1,3-thiazol-2-ylmethylcarbamoyl)-1H-inden-4-yl]-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-3-[6-(1,3-thiazol-2-yloxy)-1H-inden-4-yl]-1H-pyrrole-2-carboxylic acid
CID 165013174
CID 165025796
CID 165025796
3-(2-chloro-4-methoxyphenyl)-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;3-(2-chloro-3-methylphenyl)-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;bis(5-(6-fluoro-1H-indol-4-yl)-3-(2-fluoro-4-methoxyphenyl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid)
CID 165031725
4-[4-(6-cyclobutyloxy-1H-inden-4-yl)-5-methyl-3-propan-2-yl-1H-pyrrol-2-yl]-6-fluoro-1H-indole;4-[4-(6-cyclopentyloxy-1H-inden-4-yl)-5-methyl-3-propan-2-yl-1H-pyrrol-2-yl]-6-fluoro-1H-indole;2-[4-[5-(6-fluoro-1H-indol-4-yl)-2-methyl-4-propan-2-yl-1H-pyrrol-3-yl]-7H-cyclopenta[b]pyridin-6-yl]-1,3-thiazole;5-(6-fluoro-1H-indol-4-yl)-3-[6-(oxetan-3-yloxy)-1H-inden-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylic acid
CID 165079658

Frequently Asked Questions

What is the IUPAC name of 3-[5-(carboxymethoxy)-2-chlorophenyl]-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-3-(4-phenoxyphenyl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-3-[3-(1,3-thiazol-2-yloxy)phenyl]-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-3-[4-(1,3-thiazol-2-yloxy)phenyl]-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 3-[5-(carboxymethoxy)-2-chlorophenyl]-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-3-(4-phenoxyphenyl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-3-[3-(1,3-thiazol-2-yloxy)phenyl]-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-3-[4-(1,3-thiazol-2-yloxy)phenyl]-1H-pyrrole-2-carboxylic acid (CID 165003617) is 3-[5-(carboxymethoxy)-2-chlorophenyl]-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-3-(4-phenoxyphenyl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-3-[3-(1,3-thiazol-2-yloxy)phenyl]-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-3-[4-(1,3-thiazol-2-yloxy)phenyl]-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 3-[5-(carboxymethoxy)-2-chlorophenyl]-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-3-(4-phenoxyphenyl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-3-[3-(1,3-thiazol-2-yloxy)phenyl]-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-3-[4-(1,3-thiazol-2-yloxy)phenyl]-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 3-[5-(carboxymethoxy)-2-chlorophenyl]-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-3-(4-phenoxyphenyl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-3-[3-(1,3-thiazol-2-yloxy)phenyl]-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-3-[4-(1,3-thiazol-2-yloxy)phenyl]-1H-pyrrole-2-carboxylic acid is CC(C)c1c(-c2cc(F)cc3[nH]ccc23)[nH]c(C(=O)O)c1-c1cc(OCC(=O)O)ccc1Cl.CC(C)c1c(-c2cc(F)cc3[nH]ccc23)[nH]c(C(=O)O)c1-c1ccc(Oc2ccccc2)cc1.CC(C)c1c(-c2cc(F)cc3[nH]ccc23)[nH]c(C(=O)O)c1-c1ccc(Oc2nccs2)cc1.CC(C)c1c(-c2cc(F)cc3[nH]ccc23)[nH]c(C(=O)O)c1-c1cccc(Oc2nccs2)c1.
What is the InChIKey of 3-[5-(carboxymethoxy)-2-chlorophenyl]-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-3-(4-phenoxyphenyl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-3-[3-(1,3-thiazol-2-yloxy)phenyl]-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-3-[4-(1,3-thiazol-2-yloxy)phenyl]-1H-pyrrole-2-carboxylic acid?
The InChIKey is IPZDZGFAICSKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23FN2O3.2C25H20FN3O3S.C24H20ClFN2O5/c1-16(2)24-25(17-8-10-20(11-9-17)34-19-6-4-3-5-7-19)27(28(32)33)31-26(24)22-14-18(29)15-23-21(22)12-13-30-23;1-13(2)20-21(14-3-5-16(6-4-14)32-25-28-9-10-33-25)23(24(30)31)29-22(20)18-11-15(26)12-19-17(18)7-8-27-19;1-13(2)20-21(14-4-3-5-16(10-14)32-25-28-8-9-33-25)23(24(30)31)29-22(20)18-11-15(26)12-19-17(18)6-7-27-19;1-11(2)20-21(16-9-13(3-4-17(16)25)33-10-19(29)30)23(24(31)32)28-22(20)15-7-12(26)8-18-14(15)5-6-27-18/h3-16,30-31H,1-2H3,(H,32,33);2*3-13,27,29H,1-2H3,(H,30,31);3-9,11,27-28H,10H2,1-2H3,(H,29,30)(H,31,32).
What are the key properties of 3-[5-(carboxymethoxy)-2-chlorophenyl]-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-3-(4-phenoxyphenyl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-3-[3-(1,3-thiazol-2-yloxy)phenyl]-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-3-[4-(1,3-thiazol-2-yloxy)phenyl]-1H-pyrrole-2-carboxylic acid?
3-[5-(carboxymethoxy)-2-chlorophenyl]-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-3-(4-phenoxyphenyl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-3-[3-(1,3-thiazol-2-yloxy)phenyl]-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-3-[4-(1,3-thiazol-2-yloxy)phenyl]-1H-pyrrole-2-carboxylic acid has a molecular weight of 1848.42 g/mol, XLogP of 27.57, 25 rotatable bonds, 13 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(carboxymethoxy)-2-chlorophenyl]-5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-3-(4-phenoxyphenyl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-3-[3-(1,3-thiazol-2-yloxy)phenyl]-1H-pyrrole-2-carboxylic acid;5-(6-fluoro-1H-indol-4-yl)-4-propan-2-yl-3-[4-(1,3-thiazol-2-yloxy)phenyl]-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 165003617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).