3,4-bis(1H-indol-3-yl)-1H-pyrrole-2,5-dicarboxylic acid

C22H15N3O4 — CID 11326613

IUPAC3,4-bis(1H-indol-3-yl)-1H-pyrrole-2,5-dicarboxylic acid
SMILESO=C(O)c1[nH]c(C(=O)O)c(-c2c[nH]c3ccccc23)c1-c1c[nH]c2ccccc12
InChIInChI=1S/C22H15N3O4/c26-21(27)19-17(13-9-23-15-7-3-1-5-11(13)15)18(20(25-19)22(28)29)14-10-24-16-8-4-2-6-12(14)16/h1-10,23-25H,(H,26,27)(H,28,29)
InChIKeyFZDVNXHYGMEEDT-UHFFFAOYSA-N
MW385.38 g/mol
LogP4.71
Rot. Bonds4

About 3,4-bis(1H-indol-3-yl)-1H-pyrrole-2,5-dicarboxylic acid

3,4-bis(1H-indol-3-yl)-1H-pyrrole-2,5-dicarboxylic acid (PubChem CID 11326613) has the molecular formula C22H15N3O4 and a molecular weight of 385.38 g/mol. Its IUPAC name is 3,4-bis(1H-indol-3-yl)-1H-pyrrole-2,5-dicarboxylic acid.

Molecular Properties

Compound Name3,4-bis(1H-indol-3-yl)-1H-pyrrole-2,5-dicarboxylic acid
PubChem CID11326613
Molecular FormulaC22H15N3O4
Molecular Weight385.38 g/mol
Exact Mass385.11
IUPAC Name3,4-bis(1H-indol-3-yl)-1H-pyrrole-2,5-dicarboxylic acid
SMILESO=C(O)c1[nH]c(C(=O)O)c(-c2c[nH]c3ccccc23)c1-c1c[nH]c2ccccc12
InChIInChI=1S/C22H15N3O4/c26-21(27)19-17(13-9-23-15-7-3-1-5-11(13)15)18(20(25-19)22(28)29)14-10-24-16-8-4-2-6-12(14)16/h1-10,23-25H,(H,26,27)(H,28,29)
InChIKeyFZDVNXHYGMEEDT-UHFFFAOYSA-N
XLogP4.71
TPSA121.97 Ų
H-Bond Donors5
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.38
LogP ≤ 54.71
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-bis(1H-indol-3-yl)-1H-pyrrole-2,5-dicarboxylic acid?
The IUPAC name of 3,4-bis(1H-indol-3-yl)-1H-pyrrole-2,5-dicarboxylic acid (CID 11326613) is 3,4-bis(1H-indol-3-yl)-1H-pyrrole-2,5-dicarboxylic acid.
What is the SMILES notation for 3,4-bis(1H-indol-3-yl)-1H-pyrrole-2,5-dicarboxylic acid?
The canonical SMILES for 3,4-bis(1H-indol-3-yl)-1H-pyrrole-2,5-dicarboxylic acid is O=C(O)c1[nH]c(C(=O)O)c(-c2c[nH]c3ccccc23)c1-c1c[nH]c2ccccc12.
What is the InChIKey of 3,4-bis(1H-indol-3-yl)-1H-pyrrole-2,5-dicarboxylic acid?
The InChIKey is FZDVNXHYGMEEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N3O4/c26-21(27)19-17(13-9-23-15-7-3-1-5-11(13)15)18(20(25-19)22(28)29)14-10-24-16-8-4-2-6-12(14)16/h1-10,23-25H,(H,26,27)(H,28,29).
What are the key properties of 3,4-bis(1H-indol-3-yl)-1H-pyrrole-2,5-dicarboxylic acid?
3,4-bis(1H-indol-3-yl)-1H-pyrrole-2,5-dicarboxylic acid has a molecular weight of 385.38 g/mol, XLogP of 4.71, 4 rotatable bonds, 5 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(1H-indol-3-yl)-1H-pyrrole-2,5-dicarboxylic acid is sourced from PubChem (CID 11326613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).