ethyl 5-[2-[(2,5-dimethylpyrrol-1-yl)amino]-2-oxoethoxy]-1-(2-hydroxyethyl)-2-methylindole-3-carboxylate

C22H27N3O5 — CID 125113663

IUPACethyl 5-[2-[(2,5-dimethylpyrrol-1-yl)amino]-2-oxoethoxy]-1-(2-hydroxyethyl)-2-methylindole-3-carboxylate
SMILESCCOC(=O)c1c(C)n(CCO)c2ccc(OCC(=O)Nn3c(C)ccc3C)cc12
InChIInChI=1S/C22H27N3O5/c1-5-29-22(28)21-16(4)24(10-11-26)19-9-8-17(12-18(19)21)30-13-20(27)23-25-14(2)6-7-15(25)3/h6-9,12,26H,5,10-11,13H2,1-4H3,(H,23,27)
InChIKeyZGSRIJCFVKTZMG-UHFFFAOYSA-N
MW413.47 g/mol
LogP2.69
Rot. Bonds8

About ethyl 5-[2-[(2,5-dimethylpyrrol-1-yl)amino]-2-oxoethoxy]-1-(2-hydroxyethyl)-2-methylindole-3-carboxylate

ethyl 5-[2-[(2,5-dimethylpyrrol-1-yl)amino]-2-oxoethoxy]-1-(2-hydroxyethyl)-2-methylindole-3-carboxylate (PubChem CID 125113663) has the molecular formula C22H27N3O5 and a molecular weight of 413.47 g/mol. Its IUPAC name is ethyl 5-[2-[(2,5-dimethylpyrrol-1-yl)amino]-2-oxoethoxy]-1-(2-hydroxyethyl)-2-methylindole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[2-[(2,5-dimethylpyrrol-1-yl)amino]-2-oxoethoxy]-1-(2-hydroxyethyl)-2-methylindole-3-carboxylate
PubChem CID125113663
Molecular FormulaC22H27N3O5
Molecular Weight413.47 g/mol
Exact Mass413.20
IUPAC Nameethyl 5-[2-[(2,5-dimethylpyrrol-1-yl)amino]-2-oxoethoxy]-1-(2-hydroxyethyl)-2-methylindole-3-carboxylate
SMILESCCOC(=O)c1c(C)n(CCO)c2ccc(OCC(=O)Nn3c(C)ccc3C)cc12
InChIInChI=1S/C22H27N3O5/c1-5-29-22(28)21-16(4)24(10-11-26)19-9-8-17(12-18(19)21)30-13-20(27)23-25-14(2)6-7-15(25)3/h6-9,12,26H,5,10-11,13H2,1-4H3,(H,23,27)
InChIKeyZGSRIJCFVKTZMG-UHFFFAOYSA-N
XLogP2.69
TPSA94.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethyl 5-[2-[(2,5-dimethylpyrrol-1-yl)amino]-2-oxoethoxy]-1-(2-hydroxyethyl)-2-methylindole-3-carboxylate with MolForge

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Related Compounds

ethyl 5-methoxy-1-(2-methoxyethyl)-2-methylindole-3-carboxylate
CID 99990777
2-[3-acetyl-2-methyl-1-(4-methylphenyl)indol-5-yl]oxy-N-(2,5-dimethylpyrrol-1-yl)acetamide
CID 10432787
ethyl 5-(3-cyano-2-oxopropoxy)-1-ethyl-2-methylindole-3-carboxylate
CID 23735092
2-[3-acetyl-1-(4-methoxyphenyl)-2-methylindol-5-yl]oxy-N-(2,5-dimethylpyrrol-1-yl)acetamide
CID 10321292
ethyl 1-(3-chlorophenyl)-5-[2-[(3,5-dimethylpyrazol-1-yl)amino]-2-oxoethoxy]-2-methylindole-3-carboxylate
CID 10624582
ethyl 5-methoxy-2-methyl-1-[2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]indole-3-carboxylate
CID 6979080
ethyl 1,2-dimethyl-5-(2-phenoxyacetyl)oxyindole-3-carboxylate
CID 1319681
ethyl 5-(2-ethoxy-2-oxoethoxy)-1-(4-ethoxyphenyl)-2-methylindole-3-carboxylate
CID 1038232
ethyl 5-[2-[(2E)-2-[(4-bromothiophen-2-yl)methylidene]hydrazinyl]-2-oxoethoxy]-1,2-dimethylindole-3-carboxylate
CID 6878396
2-(3-ethoxycarbonyl-1,2-dimethylindol-5-yl)oxyethyl-dimethylazanium
CID 4075047
ethyl 5-cyclopentyloxy-1-(2-methoxyethyl)-2-methylindole-3-carboxylate
CID 99991134
ethyl 1-benzyl-5-[(2S)-3-(benzylamino)-2-hydroxypropoxy]-2-methylindole-3-carboxylate
CID 1235049

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[2-[(2,5-dimethylpyrrol-1-yl)amino]-2-oxoethoxy]-1-(2-hydroxyethyl)-2-methylindole-3-carboxylate?
The IUPAC name of ethyl 5-[2-[(2,5-dimethylpyrrol-1-yl)amino]-2-oxoethoxy]-1-(2-hydroxyethyl)-2-methylindole-3-carboxylate (CID 125113663) is ethyl 5-[2-[(2,5-dimethylpyrrol-1-yl)amino]-2-oxoethoxy]-1-(2-hydroxyethyl)-2-methylindole-3-carboxylate.
What is the SMILES notation for ethyl 5-[2-[(2,5-dimethylpyrrol-1-yl)amino]-2-oxoethoxy]-1-(2-hydroxyethyl)-2-methylindole-3-carboxylate?
The canonical SMILES for ethyl 5-[2-[(2,5-dimethylpyrrol-1-yl)amino]-2-oxoethoxy]-1-(2-hydroxyethyl)-2-methylindole-3-carboxylate is CCOC(=O)c1c(C)n(CCO)c2ccc(OCC(=O)Nn3c(C)ccc3C)cc12.
What is the InChIKey of ethyl 5-[2-[(2,5-dimethylpyrrol-1-yl)amino]-2-oxoethoxy]-1-(2-hydroxyethyl)-2-methylindole-3-carboxylate?
The InChIKey is ZGSRIJCFVKTZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O5/c1-5-29-22(28)21-16(4)24(10-11-26)19-9-8-17(12-18(19)21)30-13-20(27)23-25-14(2)6-7-15(25)3/h6-9,12,26H,5,10-11,13H2,1-4H3,(H,23,27).
What are the key properties of ethyl 5-[2-[(2,5-dimethylpyrrol-1-yl)amino]-2-oxoethoxy]-1-(2-hydroxyethyl)-2-methylindole-3-carboxylate?
ethyl 5-[2-[(2,5-dimethylpyrrol-1-yl)amino]-2-oxoethoxy]-1-(2-hydroxyethyl)-2-methylindole-3-carboxylate has a molecular weight of 413.47 g/mol, XLogP of 2.69, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[2-[(2,5-dimethylpyrrol-1-yl)amino]-2-oxoethoxy]-1-(2-hydroxyethyl)-2-methylindole-3-carboxylate is sourced from PubChem (CID 125113663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).