4-ethyl-3-(1H-indol-4-yl)-5-(7-methyl-1H-indol-4-yl)-1H-pyrrole-2-carboxylic acid

C24H21N3O2 — CID 146350215

IUPAC4-ethyl-3-(1H-indol-4-yl)-5-(7-methyl-1H-indol-4-yl)-1H-pyrrole-2-carboxylic acid
SMILESCCc1c(-c2ccc(C)c3[nH]ccc23)[nH]c(C(=O)O)c1-c1cccc2[nH]ccc12
InChIInChI=1S/C24H21N3O2/c1-3-14-20(16-5-4-6-19-15(16)9-11-25-19)23(24(28)29)27-22(14)17-8-7-13(2)21-18(17)10-12-26-21/h4-12,25-27H,3H2,1-2H3,(H,28,29)
InChIKeyNABTVYDJXVPITM-UHFFFAOYSA-N
MW383.45 g/mol
LogP5.88
Rot. Bonds4

About 4-ethyl-3-(1H-indol-4-yl)-5-(7-methyl-1H-indol-4-yl)-1H-pyrrole-2-carboxylic acid

4-ethyl-3-(1H-indol-4-yl)-5-(7-methyl-1H-indol-4-yl)-1H-pyrrole-2-carboxylic acid (PubChem CID 146350215) has the molecular formula C24H21N3O2 and a molecular weight of 383.45 g/mol. Its IUPAC name is 4-ethyl-3-(1H-indol-4-yl)-5-(7-methyl-1H-indol-4-yl)-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-3-(1H-indol-4-yl)-5-(7-methyl-1H-indol-4-yl)-1H-pyrrole-2-carboxylic acid
PubChem CID146350215
Molecular FormulaC24H21N3O2
Molecular Weight383.45 g/mol
Exact Mass383.16
IUPAC Name4-ethyl-3-(1H-indol-4-yl)-5-(7-methyl-1H-indol-4-yl)-1H-pyrrole-2-carboxylic acid
SMILESCCc1c(-c2ccc(C)c3[nH]ccc23)[nH]c(C(=O)O)c1-c1cccc2[nH]ccc12
InChIInChI=1S/C24H21N3O2/c1-3-14-20(16-5-4-6-19-15(16)9-11-25-19)23(24(28)29)27-22(14)17-8-7-13(2)21-18(17)10-12-26-21/h4-12,25-27H,3H2,1-2H3,(H,28,29)
InChIKeyNABTVYDJXVPITM-UHFFFAOYSA-N
XLogP5.88
TPSA84.67 Ų
H-Bond Donors4
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.45
LogP ≤ 55.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-(1H-indol-4-yl)-5-(7-methyl-1H-indol-4-yl)-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 4-ethyl-3-(1H-indol-4-yl)-5-(7-methyl-1H-indol-4-yl)-1H-pyrrole-2-carboxylic acid (CID 146350215) is 4-ethyl-3-(1H-indol-4-yl)-5-(7-methyl-1H-indol-4-yl)-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-ethyl-3-(1H-indol-4-yl)-5-(7-methyl-1H-indol-4-yl)-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 4-ethyl-3-(1H-indol-4-yl)-5-(7-methyl-1H-indol-4-yl)-1H-pyrrole-2-carboxylic acid is CCc1c(-c2ccc(C)c3[nH]ccc23)[nH]c(C(=O)O)c1-c1cccc2[nH]ccc12.
What is the InChIKey of 4-ethyl-3-(1H-indol-4-yl)-5-(7-methyl-1H-indol-4-yl)-1H-pyrrole-2-carboxylic acid?
The InChIKey is NABTVYDJXVPITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2/c1-3-14-20(16-5-4-6-19-15(16)9-11-25-19)23(24(28)29)27-22(14)17-8-7-13(2)21-18(17)10-12-26-21/h4-12,25-27H,3H2,1-2H3,(H,28,29).
What are the key properties of 4-ethyl-3-(1H-indol-4-yl)-5-(7-methyl-1H-indol-4-yl)-1H-pyrrole-2-carboxylic acid?
4-ethyl-3-(1H-indol-4-yl)-5-(7-methyl-1H-indol-4-yl)-1H-pyrrole-2-carboxylic acid has a molecular weight of 383.45 g/mol, XLogP of 5.88, 4 rotatable bonds, 4 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-(1H-indol-4-yl)-5-(7-methyl-1H-indol-4-yl)-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 146350215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).