2-[1-(5-chlorothiophene-2-carbonyl)-6-fluoro-5-hydroxy-2-methylindol-3-yl]acetic acid;(5-chlorothiophen-2-yl)-(3-ethyl-6-fluoro-5-methoxy-2-methylindol-1-yl)methanone;3-fluoro-4-methoxyaniline;2-(4-fluoro-5-methoxy-2-methyl-1H-indol-3-yl)acetic acid;2-(6-fluoro-5-methoxy-2-methyl-1H-indol-3-yl)acetic acid;(3-fluoro-4-methoxyphenyl)hydrazine;4-oxopentanoic acid;2-trimethylsilylethyl 2-(6-fluoro-5-methoxy-2-methyl-1H-indol-3-yl)acetate;hydrochloride

C93H100Cl3F7N8O20S2Si — CID 158815427

IUPAC2-[1-(5-chlorothiophene-2-carbonyl)-6-fluoro-5-hydroxy-2-methylindol-3-yl]acetic acid;(5-chlorothiophen-2-yl)-(3-ethyl-6-fluoro-5-methoxy-2-methylindol-1-yl)methanone;3-fluoro-4-methoxyaniline;2-(4-fluoro-5-methoxy-2-methyl-1H-indol-3-yl)acetic acid;2-(6-fluoro-5-methoxy-2-methyl-1H-indol-3-yl)acetic acid;(3-fluoro-4-methoxyphenyl)hydrazine;4-oxopentanoic acid;2-trimethylsilylethyl 2-(6-fluoro-5-methoxy-2-methyl-1H-indol-3-yl)acetate;hydrochloride
SMILESCC(=O)CCC(=O)O.CCc1c(C)n(C(=O)c2ccc(Cl)s2)c2cc(F)c(OC)cc12.COc1cc2c(CC(=O)O)c(C)[nH]c2cc1F.COc1cc2c(CC(=O)OCC[Si](C)(C)C)c(C)[nH]c2cc1F.COc1ccc(N)cc1F.COc1ccc(NN)cc1F.COc1ccc2[nH]c(C)c(CC(=O)O)c2c1F.Cc1c(CC(=O)O)c2cc(O)c(F)cc2n1C(=O)c1ccc(Cl)s1.Cl
InChIInChI=1S/C17H15ClFNO2S.C17H24FNO3Si.C16H11ClFNO4S.2C12H12FNO3.C7H9FN2O.C7H8FNO.C5H8O3.ClH/c1-4-10-9(2)20(17(21)15-5-6-16(18)23-15)13-8-12(19)14(22-3)7-11(10)13;1-11-12(9-17(20)22-6-7-23(3,4)5)13-8-16(21-2)14(18)10-15(13)19-11;1-7-8(5-15(21)22)9-4-12(20)10(18)6-11(9)19(7)16(23)13-2-3-14(17)24-13;1-6-7(4-12(15)16)8-3-11(17-2)9(13)5-10(8)14-6;1-6-7(5-10(15)16)11-8(14-6)3-4-9(17-2)12(11)13;1-11-7-3-2-5(10-9)4-6(7)8;1-10-7-3-2-5(9)4-6(7)8;1-4(6)2-3-5(7)8;/h5-8H,4H2,1-3H3;8,10,19H,6-7,9H2,1-5H3;2-4,6,20H,5H2,1H3,(H,21,22);3,5,14H,4H2,1-2H3,(H,15,16);3-4,14H,5H2,1-2H3,(H,15,16);2-4,10H,9H2,1H3;2-4H,9H2,1H3;2-3H2,1H3,(H,7,8);1H
InChIKeyZIGSLUNFLRLMCO-UHFFFAOYSA-N
MW1981.42 g/mol
LogP20.84
Rot. Bonds24

About 2-[1-(5-chlorothiophene-2-carbonyl)-6-fluoro-5-hydroxy-2-methylindol-3-yl]acetic acid;(5-chlorothiophen-2-yl)-(3-ethyl-6-fluoro-5-methoxy-2-methylindol-1-yl)methanone;3-fluoro-4-methoxyaniline;2-(4-fluoro-5-methoxy-2-methyl-1H-indol-3-yl)acetic acid;2-(6-fluoro-5-methoxy-2-methyl-1H-indol-3-yl)acetic acid;(3-fluoro-4-methoxyphenyl)hydrazine;4-oxopentanoic acid;2-trimethylsilylethyl 2-(6-fluoro-5-methoxy-2-methyl-1H-indol-3-yl)acetate;hydrochloride

2-[1-(5-chlorothiophene-2-carbonyl)-6-fluoro-5-hydroxy-2-methylindol-3-yl]acetic acid;(5-chlorothiophen-2-yl)-(3-ethyl-6-fluoro-5-methoxy-2-methylindol-1-yl)methanone;3-fluoro-4-methoxyaniline;2-(4-fluoro-5-methoxy-2-methyl-1H-indol-3-yl)acetic acid;2-(6-fluoro-5-methoxy-2-methyl-1H-indol-3-yl)acetic acid;(3-fluoro-4-methoxyphenyl)hydrazine;4-oxopentanoic acid;2-trimethylsilylethyl 2-(6-fluoro-5-methoxy-2-methyl-1H-indol-3-yl)acetate;hydrochloride (PubChem CID 158815427) has the molecular formula C93H100Cl3F7N8O20S2Si and a molecular weight of 1981.42 g/mol. Its IUPAC name is 2-[1-(5-chlorothiophene-2-carbonyl)-6-fluoro-5-hydroxy-2-methylindol-3-yl]acetic acid;(5-chlorothiophen-2-yl)-(3-ethyl-6-fluoro-5-methoxy-2-methylindol-1-yl)methanone;3-fluoro-4-methoxyaniline;2-(4-fluoro-5-methoxy-2-methyl-1H-indol-3-yl)acetic acid;2-(6-fluoro-5-methoxy-2-methyl-1H-indol-3-yl)acetic acid;(3-fluoro-4-methoxyphenyl)hydrazine;4-oxopentanoic acid;2-trimethylsilylethyl 2-(6-fluoro-5-methoxy-2-methyl-1H-indol-3-yl)acetate;hydrochloride.

Molecular Properties

Compound Name2-[1-(5-chlorothiophene-2-carbonyl)-6-fluoro-5-hydroxy-2-methylindol-3-yl]acetic acid;(5-chlorothiophen-2-yl)-(3-ethyl-6-fluoro-5-methoxy-2-methylindol-1-yl)methanone;3-fluoro-4-methoxyaniline;2-(4-fluoro-5-methoxy-2-methyl-1H-indol-3-yl)acetic acid;2-(6-fluoro-5-methoxy-2-methyl-1H-indol-3-yl)acetic acid;(3-fluoro-4-methoxyphenyl)hydrazine;4-oxopentanoic acid;2-trimethylsilylethyl 2-(6-fluoro-5-methoxy-2-methyl-1H-indol-3-yl)acetate;hydrochloride
PubChem CID158815427
Molecular FormulaC93H100Cl3F7N8O20S2Si
Molecular Weight1981.42 g/mol
Exact Mass1978.52
IUPAC Name2-[1-(5-chlorothiophene-2-carbonyl)-6-fluoro-5-hydroxy-2-methylindol-3-yl]acetic acid;(5-chlorothiophen-2-yl)-(3-ethyl-6-fluoro-5-methoxy-2-methylindol-1-yl)methanone;3-fluoro-4-methoxyaniline;2-(4-fluoro-5-methoxy-2-methyl-1H-indol-3-yl)acetic acid;2-(6-fluoro-5-methoxy-2-methyl-1H-indol-3-yl)acetic acid;(3-fluoro-4-methoxyphenyl)hydrazine;4-oxopentanoic acid;2-trimethylsilylethyl 2-(6-fluoro-5-methoxy-2-methyl-1H-indol-3-yl)acetate;hydrochloride
SMILESCC(=O)CCC(=O)O.CCc1c(C)n(C(=O)c2ccc(Cl)s2)c2cc(F)c(OC)cc12.COc1cc2c(CC(=O)O)c(C)[nH]c2cc1F.COc1cc2c(CC(=O)OCC[Si](C)(C)C)c(C)[nH]c2cc1F.COc1ccc(N)cc1F.COc1ccc(NN)cc1F.COc1ccc2[nH]c(C)c(CC(=O)O)c2c1F.Cc1c(CC(=O)O)c2cc(O)c(F)cc2n1C(=O)c1ccc(Cl)s1.Cl
InChIInChI=1S/C17H15ClFNO2S.C17H24FNO3Si.C16H11ClFNO4S.2C12H12FNO3.C7H9FN2O.C7H8FNO.C5H8O3.ClH/c1-4-10-9(2)20(17(21)15-5-6-16(18)23-15)13-8-12(19)14(22-3)7-11(10)13;1-11-12(9-17(20)22-6-7-23(3,4)5)13-8-16(21-2)14(18)10-15(13)19-11;1-7-8(5-15(21)22)9-4-12(20)10(18)6-11(9)19(7)16(23)13-2-3-14(17)24-13;1-6-7(4-12(15)16)8-3-11(17-2)9(13)5-10(8)14-6;1-6-7(5-10(15)16)11-8(14-6)3-4-9(17-2)12(11)13;1-11-7-3-2-5(10-9)4-6(7)8;1-10-7-3-2-5(9)4-6(7)8;1-4(6)2-3-5(7)8;/h5-8H,4H2,1-3H3;8,10,19H,6-7,9H2,1-5H3;2-4,6,20H,5H2,1H3,(H,21,22);3,5,14H,4H2,1-2H3,(H,15,16);3-4,14H,5H2,1-2H3,(H,15,16);2-4,10H,9H2,1H3;2-4H,9H2,1H3;2-3H2,1H3,(H,7,8);1H
InChIKeyZIGSLUNFLRLMCO-UHFFFAOYSA-N
XLogP20.84
TPSA423.62 Ų
H-Bond Donors11
H-Bond Acceptors23
Rotatable Bonds24
Heavy Atoms134
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001981.42
LogP ≤ 520.84
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[1-(5-chlorothiophene-2-carbonyl)-6-fluoro-5-hydroxy-2-methylindol-3-yl]acetic acid;(5-chlorothiophen-2-yl)-(3-ethyl-6-fluoro-5-methoxy-2-methylindol-1-yl)methanone;3-fluoro-4-methoxyaniline;2-(4-fluoro-5-methoxy-2-methyl-1H-indol-3-yl)acetic acid;2-(6-fluoro-5-methoxy-2-methyl-1H-indol-3-yl)acetic acid;(3-fluoro-4-methoxyphenyl)hydrazine;4-oxopentanoic acid;2-trimethylsilylethyl 2-(6-fluoro-5-methoxy-2-methyl-1H-indol-3-yl)acetate;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-chlorothiophene-2-carbonyl)-6-fluoro-5-hydroxy-2-methylindol-3-yl]acetic acid;(5-chlorothiophen-2-yl)-(3-ethyl-6-fluoro-5-methoxy-2-methylindol-1-yl)methanone;3-fluoro-4-methoxyaniline;2-(4-fluoro-5-methoxy-2-methyl-1H-indol-3-yl)acetic acid;2-(6-fluoro-5-methoxy-2-methyl-1H-indol-3-yl)acetic acid;(3-fluoro-4-methoxyphenyl)hydrazine;4-oxopentanoic acid;2-trimethylsilylethyl 2-(6-fluoro-5-methoxy-2-methyl-1H-indol-3-yl)acetate;hydrochloride?
The IUPAC name of 2-[1-(5-chlorothiophene-2-carbonyl)-6-fluoro-5-hydroxy-2-methylindol-3-yl]acetic acid;(5-chlorothiophen-2-yl)-(3-ethyl-6-fluoro-5-methoxy-2-methylindol-1-yl)methanone;3-fluoro-4-methoxyaniline;2-(4-fluoro-5-methoxy-2-methyl-1H-indol-3-yl)acetic acid;2-(6-fluoro-5-methoxy-2-methyl-1H-indol-3-yl)acetic acid;(3-fluoro-4-methoxyphenyl)hydrazine;4-oxopentanoic acid;2-trimethylsilylethyl 2-(6-fluoro-5-methoxy-2-methyl-1H-indol-3-yl)acetate;hydrochloride (CID 158815427) is 2-[1-(5-chlorothiophene-2-carbonyl)-6-fluoro-5-hydroxy-2-methylindol-3-yl]acetic acid;(5-chlorothiophen-2-yl)-(3-ethyl-6-fluoro-5-methoxy-2-methylindol-1-yl)methanone;3-fluoro-4-methoxyaniline;2-(4-fluoro-5-methoxy-2-methyl-1H-indol-3-yl)acetic acid;2-(6-fluoro-5-methoxy-2-methyl-1H-indol-3-yl)acetic acid;(3-fluoro-4-methoxyphenyl)hydrazine;4-oxopentanoic acid;2-trimethylsilylethyl 2-(6-fluoro-5-methoxy-2-methyl-1H-indol-3-yl)acetate;hydrochloride.
What is the SMILES notation for 2-[1-(5-chlorothiophene-2-carbonyl)-6-fluoro-5-hydroxy-2-methylindol-3-yl]acetic acid;(5-chlorothiophen-2-yl)-(3-ethyl-6-fluoro-5-methoxy-2-methylindol-1-yl)methanone;3-fluoro-4-methoxyaniline;2-(4-fluoro-5-methoxy-2-methyl-1H-indol-3-yl)acetic acid;2-(6-fluoro-5-methoxy-2-methyl-1H-indol-3-yl)acetic acid;(3-fluoro-4-methoxyphenyl)hydrazine;4-oxopentanoic acid;2-trimethylsilylethyl 2-(6-fluoro-5-methoxy-2-methyl-1H-indol-3-yl)acetate;hydrochloride?
The canonical SMILES for 2-[1-(5-chlorothiophene-2-carbonyl)-6-fluoro-5-hydroxy-2-methylindol-3-yl]acetic acid;(5-chlorothiophen-2-yl)-(3-ethyl-6-fluoro-5-methoxy-2-methylindol-1-yl)methanone;3-fluoro-4-methoxyaniline;2-(4-fluoro-5-methoxy-2-methyl-1H-indol-3-yl)acetic acid;2-(6-fluoro-5-methoxy-2-methyl-1H-indol-3-yl)acetic acid;(3-fluoro-4-methoxyphenyl)hydrazine;4-oxopentanoic acid;2-trimethylsilylethyl 2-(6-fluoro-5-methoxy-2-methyl-1H-indol-3-yl)acetate;hydrochloride is CC(=O)CCC(=O)O.CCc1c(C)n(C(=O)c2ccc(Cl)s2)c2cc(F)c(OC)cc12.COc1cc2c(CC(=O)O)c(C)[nH]c2cc1F.COc1cc2c(CC(=O)OCC[Si](C)(C)C)c(C)[nH]c2cc1F.COc1ccc(N)cc1F.COc1ccc(NN)cc1F.COc1ccc2[nH]c(C)c(CC(=O)O)c2c1F.Cc1c(CC(=O)O)c2cc(O)c(F)cc2n1C(=O)c1ccc(Cl)s1.Cl.
What is the InChIKey of 2-[1-(5-chlorothiophene-2-carbonyl)-6-fluoro-5-hydroxy-2-methylindol-3-yl]acetic acid;(5-chlorothiophen-2-yl)-(3-ethyl-6-fluoro-5-methoxy-2-methylindol-1-yl)methanone;3-fluoro-4-methoxyaniline;2-(4-fluoro-5-methoxy-2-methyl-1H-indol-3-yl)acetic acid;2-(6-fluoro-5-methoxy-2-methyl-1H-indol-3-yl)acetic acid;(3-fluoro-4-methoxyphenyl)hydrazine;4-oxopentanoic acid;2-trimethylsilylethyl 2-(6-fluoro-5-methoxy-2-methyl-1H-indol-3-yl)acetate;hydrochloride?
The InChIKey is ZIGSLUNFLRLMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFNO2S.C17H24FNO3Si.C16H11ClFNO4S.2C12H12FNO3.C7H9FN2O.C7H8FNO.C5H8O3.ClH/c1-4-10-9(2)20(17(21)15-5-6-16(18)23-15)13-8-12(19)14(22-3)7-11(10)13;1-11-12(9-17(20)22-6-7-23(3,4)5)13-8-16(21-2)14(18)10-15(13)19-11;1-7-8(5-15(21)22)9-4-12(20)10(18)6-11(9)19(7)16(23)13-2-3-14(17)24-13;1-6-7(4-12(15)16)8-3-11(17-2)9(13)5-10(8)14-6;1-6-7(5-10(15)16)11-8(14-6)3-4-9(17-2)12(11)13;1-11-7-3-2-5(10-9)4-6(7)8;1-10-7-3-2-5(9)4-6(7)8;1-4(6)2-3-5(7)8;/h5-8H,4H2,1-3H3;8,10,19H,6-7,9H2,1-5H3;2-4,6,20H,5H2,1H3,(H,21,22);3,5,14H,4H2,1-2H3,(H,15,16);3-4,14H,5H2,1-2H3,(H,15,16);2-4,10H,9H2,1H3;2-4H,9H2,1H3;2-3H2,1H3,(H,7,8);1H.
What are the key properties of 2-[1-(5-chlorothiophene-2-carbonyl)-6-fluoro-5-hydroxy-2-methylindol-3-yl]acetic acid;(5-chlorothiophen-2-yl)-(3-ethyl-6-fluoro-5-methoxy-2-methylindol-1-yl)methanone;3-fluoro-4-methoxyaniline;2-(4-fluoro-5-methoxy-2-methyl-1H-indol-3-yl)acetic acid;2-(6-fluoro-5-methoxy-2-methyl-1H-indol-3-yl)acetic acid;(3-fluoro-4-methoxyphenyl)hydrazine;4-oxopentanoic acid;2-trimethylsilylethyl 2-(6-fluoro-5-methoxy-2-methyl-1H-indol-3-yl)acetate;hydrochloride?
2-[1-(5-chlorothiophene-2-carbonyl)-6-fluoro-5-hydroxy-2-methylindol-3-yl]acetic acid;(5-chlorothiophen-2-yl)-(3-ethyl-6-fluoro-5-methoxy-2-methylindol-1-yl)methanone;3-fluoro-4-methoxyaniline;2-(4-fluoro-5-methoxy-2-methyl-1H-indol-3-yl)acetic acid;2-(6-fluoro-5-methoxy-2-methyl-1H-indol-3-yl)acetic acid;(3-fluoro-4-methoxyphenyl)hydrazine;4-oxopentanoic acid;2-trimethylsilylethyl 2-(6-fluoro-5-methoxy-2-methyl-1H-indol-3-yl)acetate;hydrochloride has a molecular weight of 1981.42 g/mol, XLogP of 20.84, 24 rotatable bonds, 11 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-chlorothiophene-2-carbonyl)-6-fluoro-5-hydroxy-2-methylindol-3-yl]acetic acid;(5-chlorothiophen-2-yl)-(3-ethyl-6-fluoro-5-methoxy-2-methylindol-1-yl)methanone;3-fluoro-4-methoxyaniline;2-(4-fluoro-5-methoxy-2-methyl-1H-indol-3-yl)acetic acid;2-(6-fluoro-5-methoxy-2-methyl-1H-indol-3-yl)acetic acid;(3-fluoro-4-methoxyphenyl)hydrazine;4-oxopentanoic acid;2-trimethylsilylethyl 2-(6-fluoro-5-methoxy-2-methyl-1H-indol-3-yl)acetate;hydrochloride is sourced from PubChem (CID 158815427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).