ethyl 4-amino-5-[3-amino-4-ethoxycarbonyl-1-(4-ethoxyphenyl)-5-methylpyrrol-2-yl]-1-(4-ethoxyphenyl)-2-methylpyrrole-3-carboxylate

C32H38N4O6 — CID 11813846

IUPACethyl 4-amino-5-[3-amino-4-ethoxycarbonyl-1-(4-ethoxyphenyl)-5-methylpyrrol-2-yl]-1-(4-ethoxyphenyl)-2-methylpyrrole-3-carboxylate
SMILESCCOC(=O)c1c(N)c(-c2c(N)c(C(=O)OCC)c(C)n2-c2ccc(OCC)cc2)n(-c2ccc(OCC)cc2)c1C
InChIInChI=1S/C32H38N4O6/c1-7-39-23-15-11-21(12-16-23)35-19(5)25(31(37)41-9-3)27(33)29(35)30-28(34)26(32(38)42-10-4)20(6)36(30)22-13-17-24(18-14-22)40-8-2/h11-18H,7-10,33-34H2,1-6H3
InChIKeyWGRFTGYHGTUZAJ-UHFFFAOYSA-N
MW574.68 g/mol
LogP5.87
Rot. Bonds11

About ethyl 4-amino-5-[3-amino-4-ethoxycarbonyl-1-(4-ethoxyphenyl)-5-methylpyrrol-2-yl]-1-(4-ethoxyphenyl)-2-methylpyrrole-3-carboxylate

ethyl 4-amino-5-[3-amino-4-ethoxycarbonyl-1-(4-ethoxyphenyl)-5-methylpyrrol-2-yl]-1-(4-ethoxyphenyl)-2-methylpyrrole-3-carboxylate (PubChem CID 11813846) has the molecular formula C32H38N4O6 and a molecular weight of 574.68 g/mol. Its IUPAC name is ethyl 4-amino-5-[3-amino-4-ethoxycarbonyl-1-(4-ethoxyphenyl)-5-methylpyrrol-2-yl]-1-(4-ethoxyphenyl)-2-methylpyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-5-[3-amino-4-ethoxycarbonyl-1-(4-ethoxyphenyl)-5-methylpyrrol-2-yl]-1-(4-ethoxyphenyl)-2-methylpyrrole-3-carboxylate
PubChem CID11813846
Molecular FormulaC32H38N4O6
Molecular Weight574.68 g/mol
Exact Mass574.28
IUPAC Nameethyl 4-amino-5-[3-amino-4-ethoxycarbonyl-1-(4-ethoxyphenyl)-5-methylpyrrol-2-yl]-1-(4-ethoxyphenyl)-2-methylpyrrole-3-carboxylate
SMILESCCOC(=O)c1c(N)c(-c2c(N)c(C(=O)OCC)c(C)n2-c2ccc(OCC)cc2)n(-c2ccc(OCC)cc2)c1C
InChIInChI=1S/C32H38N4O6/c1-7-39-23-15-11-21(12-16-23)35-19(5)25(31(37)41-9-3)27(33)29(35)30-28(34)26(32(38)42-10-4)20(6)36(30)22-13-17-24(18-14-22)40-8-2/h11-18H,7-10,33-34H2,1-6H3
InChIKeyWGRFTGYHGTUZAJ-UHFFFAOYSA-N
XLogP5.87
TPSA132.96 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.68
LogP ≤ 55.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

ethyl 2-amino-1-(4-ethoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 987444
ethyl 5-(2-ethoxy-2-oxoethoxy)-1-(4-ethoxyphenyl)-2-methylindole-3-carboxylate
CID 1038232
ethyl 1-(4-ethoxyphenyl)-2-methyl-5-prop-2-enoxyindole-3-carboxylate
CID 2076805
2-methoxyethyl 1-(4-ethoxyphenyl)-5-hydroxy-2-methylindole-3-carboxylate
CID 17138681
ethyl 4-amino-5-(3-ethoxyphenyl)-1,2-dimethylpyrrole-3-carboxylate
CID 28805859
ethyl 1-(4-ethoxyphenyl)-5-(1-methoxy-1-oxobutan-2-yl)oxy-2-methylindole-3-carboxylate
CID 19238131
2-(4-chlorophenyl)-4-ethoxycarbonyl-1-(4-methoxyphenyl)-5-methylpyrrole-3-carboxylic acid
CID 23650324
ethyl 4-acetyl-1-(4-ethoxyphenyl)-5-methylpyrazole-3-carboxylate
CID 1234267
diethyl 1-(4-bromophenyl)-2-methyl-5-phenylpyrrole-3,4-dicarboxylate
CID 11525344
ethyl 1-(4-ethoxyphenyl)-2-methyl-5-[(4-propan-2-yloxycarbonylphenyl)methoxy]indole-3-carboxylate
CID 2076807
ethyl 1-(4-methoxyphenyl)-2,5-dimethyl-4-phenylpyrrole-3-carboxylate
CID 102185323
propyl 2-amino-1-(4-ethoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
CID 2021301

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-5-[3-amino-4-ethoxycarbonyl-1-(4-ethoxyphenyl)-5-methylpyrrol-2-yl]-1-(4-ethoxyphenyl)-2-methylpyrrole-3-carboxylate?
The IUPAC name of ethyl 4-amino-5-[3-amino-4-ethoxycarbonyl-1-(4-ethoxyphenyl)-5-methylpyrrol-2-yl]-1-(4-ethoxyphenyl)-2-methylpyrrole-3-carboxylate (CID 11813846) is ethyl 4-amino-5-[3-amino-4-ethoxycarbonyl-1-(4-ethoxyphenyl)-5-methylpyrrol-2-yl]-1-(4-ethoxyphenyl)-2-methylpyrrole-3-carboxylate.
What is the SMILES notation for ethyl 4-amino-5-[3-amino-4-ethoxycarbonyl-1-(4-ethoxyphenyl)-5-methylpyrrol-2-yl]-1-(4-ethoxyphenyl)-2-methylpyrrole-3-carboxylate?
The canonical SMILES for ethyl 4-amino-5-[3-amino-4-ethoxycarbonyl-1-(4-ethoxyphenyl)-5-methylpyrrol-2-yl]-1-(4-ethoxyphenyl)-2-methylpyrrole-3-carboxylate is CCOC(=O)c1c(N)c(-c2c(N)c(C(=O)OCC)c(C)n2-c2ccc(OCC)cc2)n(-c2ccc(OCC)cc2)c1C.
What is the InChIKey of ethyl 4-amino-5-[3-amino-4-ethoxycarbonyl-1-(4-ethoxyphenyl)-5-methylpyrrol-2-yl]-1-(4-ethoxyphenyl)-2-methylpyrrole-3-carboxylate?
The InChIKey is WGRFTGYHGTUZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38N4O6/c1-7-39-23-15-11-21(12-16-23)35-19(5)25(31(37)41-9-3)27(33)29(35)30-28(34)26(32(38)42-10-4)20(6)36(30)22-13-17-24(18-14-22)40-8-2/h11-18H,7-10,33-34H2,1-6H3.
What are the key properties of ethyl 4-amino-5-[3-amino-4-ethoxycarbonyl-1-(4-ethoxyphenyl)-5-methylpyrrol-2-yl]-1-(4-ethoxyphenyl)-2-methylpyrrole-3-carboxylate?
ethyl 4-amino-5-[3-amino-4-ethoxycarbonyl-1-(4-ethoxyphenyl)-5-methylpyrrol-2-yl]-1-(4-ethoxyphenyl)-2-methylpyrrole-3-carboxylate has a molecular weight of 574.68 g/mol, XLogP of 5.87, 11 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-5-[3-amino-4-ethoxycarbonyl-1-(4-ethoxyphenyl)-5-methylpyrrol-2-yl]-1-(4-ethoxyphenyl)-2-methylpyrrole-3-carboxylate is sourced from PubChem (CID 11813846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).