4-ethyl-5-(1H-indol-4-yl)-3-(6-methoxy-1,4-dihydrocyclopenta[b]pyrrol-4-yl)-1H-pyrrole-2-carboxylic acid

C23H21N3O3 — CID 146350058

IUPAC4-ethyl-5-(1H-indol-4-yl)-3-(6-methoxy-1,4-dihydrocyclopenta[b]pyrrol-4-yl)-1H-pyrrole-2-carboxylic acid
SMILESCCc1c(-c2cccc3[nH]ccc23)[nH]c(C(=O)O)c1C1C=C(OC)c2[nH]ccc21
InChIInChI=1S/C23H21N3O3/c1-3-12-19(16-11-18(29-2)21-15(16)8-10-25-21)22(23(27)28)26-20(12)14-5-4-6-17-13(14)7-9-24-17/h4-11,16,24-26H,3H2,1-2H3,(H,27,28)
InChIKeyYODZKISHDROICO-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.88
Rot. Bonds5

About 4-ethyl-5-(1H-indol-4-yl)-3-(6-methoxy-1,4-dihydrocyclopenta[b]pyrrol-4-yl)-1H-pyrrole-2-carboxylic acid

4-ethyl-5-(1H-indol-4-yl)-3-(6-methoxy-1,4-dihydrocyclopenta[b]pyrrol-4-yl)-1H-pyrrole-2-carboxylic acid (PubChem CID 146350058) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is 4-ethyl-5-(1H-indol-4-yl)-3-(6-methoxy-1,4-dihydrocyclopenta[b]pyrrol-4-yl)-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-5-(1H-indol-4-yl)-3-(6-methoxy-1,4-dihydrocyclopenta[b]pyrrol-4-yl)-1H-pyrrole-2-carboxylic acid
PubChem CID146350058
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC Name4-ethyl-5-(1H-indol-4-yl)-3-(6-methoxy-1,4-dihydrocyclopenta[b]pyrrol-4-yl)-1H-pyrrole-2-carboxylic acid
SMILESCCc1c(-c2cccc3[nH]ccc23)[nH]c(C(=O)O)c1C1C=C(OC)c2[nH]ccc21
InChIInChI=1S/C23H21N3O3/c1-3-12-19(16-11-18(29-2)21-15(16)8-10-25-21)22(23(27)28)26-20(12)14-5-4-6-17-13(14)7-9-24-17/h4-11,16,24-26H,3H2,1-2H3,(H,27,28)
InChIKeyYODZKISHDROICO-UHFFFAOYSA-N
XLogP4.88
TPSA93.90 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-5-(1H-indol-4-yl)-3-(3-phenoxyphenyl)-1H-pyrrole-2-carboxylic acid
CID 146350122
5-(1H-indol-4-yl)-3-(5-methyl-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid
CID 164948500
5-(1-aminoindol-4-yl)-3-(1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid
CID 146350248
3-(5-chloro-7-ethyl-1H-indol-4-yl)-4-ethyl-5-(1H-indol-4-yl)-1H-pyrrole-2-carboxylic acid;1-[3-(2-chloro-4-methoxyphenyl)-5-(1H-indol-4-yl)-4-propan-2-yl-1H-pyrrol-2-yl]ethanone;1-[4-ethyl-3,5-bis(1H-indol-4-yl)-1H-pyrrol-2-yl]ethenol;4-ethyl-3-(1-ethylindol-4-yl)-5-(1H-indol-4-yl)-1H-pyrrole-2-carboxylic acid
CID 165040253
ethyl 5-(1H-indol-4-yl)pyridine-3-carboxylate
CID 10491979
2-(1H-indol-4-yl)-5-methoxybenzamide
CID 67929816
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
N-methoxy-N-propyl-1H-indole-4-carboxamide
CID 114277166
(4-methoxyphenyl) 1H-indole-4-carboxylate
CID 150869217
5-(6-fluoro-1H-indol-4-yl)-3-(6-methoxy-1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid
CID 146350221
6-(1H-indol-4-yl)-3-methylpyridazine-4-carboxylic acid
CID 82382127
5-(6-fluoro-1H-indol-4-yl)-3-[5-(methoxymethyl)-1H-indol-4-yl]-4-propan-2-yl-1H-pyrrole-2-carboxylic acid
CID 146350378

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-(1H-indol-4-yl)-3-(6-methoxy-1,4-dihydrocyclopenta[b]pyrrol-4-yl)-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 4-ethyl-5-(1H-indol-4-yl)-3-(6-methoxy-1,4-dihydrocyclopenta[b]pyrrol-4-yl)-1H-pyrrole-2-carboxylic acid (CID 146350058) is 4-ethyl-5-(1H-indol-4-yl)-3-(6-methoxy-1,4-dihydrocyclopenta[b]pyrrol-4-yl)-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-ethyl-5-(1H-indol-4-yl)-3-(6-methoxy-1,4-dihydrocyclopenta[b]pyrrol-4-yl)-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 4-ethyl-5-(1H-indol-4-yl)-3-(6-methoxy-1,4-dihydrocyclopenta[b]pyrrol-4-yl)-1H-pyrrole-2-carboxylic acid is CCc1c(-c2cccc3[nH]ccc23)[nH]c(C(=O)O)c1C1C=C(OC)c2[nH]ccc21.
What is the InChIKey of 4-ethyl-5-(1H-indol-4-yl)-3-(6-methoxy-1,4-dihydrocyclopenta[b]pyrrol-4-yl)-1H-pyrrole-2-carboxylic acid?
The InChIKey is YODZKISHDROICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3/c1-3-12-19(16-11-18(29-2)21-15(16)8-10-25-21)22(23(27)28)26-20(12)14-5-4-6-17-13(14)7-9-24-17/h4-11,16,24-26H,3H2,1-2H3,(H,27,28).
What are the key properties of 4-ethyl-5-(1H-indol-4-yl)-3-(6-methoxy-1,4-dihydrocyclopenta[b]pyrrol-4-yl)-1H-pyrrole-2-carboxylic acid?
4-ethyl-5-(1H-indol-4-yl)-3-(6-methoxy-1,4-dihydrocyclopenta[b]pyrrol-4-yl)-1H-pyrrole-2-carboxylic acid has a molecular weight of 387.44 g/mol, XLogP of 4.88, 5 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-(1H-indol-4-yl)-3-(6-methoxy-1,4-dihydrocyclopenta[b]pyrrol-4-yl)-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 146350058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).