6-(1,2,3,6-tetrahydropyrrolo[3,2-e]indole-2-carbonyl)-2,3-dihydro-1H-pyrrolo[3,2-e]indole-2-carboxylic acid

C22H18N4O3 — CID 69423690

IUPAC6-(1,2,3,6-tetrahydropyrrolo[3,2-e]indole-2-carbonyl)-2,3-dihydro-1H-pyrrolo[3,2-e]indole-2-carboxylic acid
SMILESO=C(O)C1Cc2c(ccc3c2ccn3C(=O)C2Cc3c(ccc4[nH]ccc34)N2)N1
InChIInChI=1S/C22H18N4O3/c27-21(18-9-13-11-5-7-23-15(11)1-2-16(13)24-18)26-8-6-12-14-10-19(22(28)29)25-17(14)3-4-20(12)26/h1-8,18-19,23-25H,9-10H2,(H,28,29)
InChIKeyCMZDTGZBAWVUOE-UHFFFAOYSA-N
MW386.41 g/mol
LogP3.22
Rot. Bonds2

About 6-(1,2,3,6-tetrahydropyrrolo[3,2-e]indole-2-carbonyl)-2,3-dihydro-1H-pyrrolo[3,2-e]indole-2-carboxylic acid

6-(1,2,3,6-tetrahydropyrrolo[3,2-e]indole-2-carbonyl)-2,3-dihydro-1H-pyrrolo[3,2-e]indole-2-carboxylic acid (PubChem CID 69423690) has the molecular formula C22H18N4O3 and a molecular weight of 386.41 g/mol. Its IUPAC name is 6-(1,2,3,6-tetrahydropyrrolo[3,2-e]indole-2-carbonyl)-2,3-dihydro-1H-pyrrolo[3,2-e]indole-2-carboxylic acid.

Molecular Properties

Compound Name6-(1,2,3,6-tetrahydropyrrolo[3,2-e]indole-2-carbonyl)-2,3-dihydro-1H-pyrrolo[3,2-e]indole-2-carboxylic acid
PubChem CID69423690
Molecular FormulaC22H18N4O3
Molecular Weight386.41 g/mol
Exact Mass386.14
IUPAC Name6-(1,2,3,6-tetrahydropyrrolo[3,2-e]indole-2-carbonyl)-2,3-dihydro-1H-pyrrolo[3,2-e]indole-2-carboxylic acid
SMILESO=C(O)C1Cc2c(ccc3c2ccn3C(=O)C2Cc3c(ccc4[nH]ccc34)N2)N1
InChIInChI=1S/C22H18N4O3/c27-21(18-9-13-11-5-7-23-15(11)1-2-16(13)24-18)26-8-6-12-14-10-19(22(28)29)25-17(14)3-4-20(12)26/h1-8,18-19,23-25H,9-10H2,(H,28,29)
InChIKeyCMZDTGZBAWVUOE-UHFFFAOYSA-N
XLogP3.22
TPSA99.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 53.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 6-(1,2,3,6-tetrahydropyrrolo[3,2-e]indole-2-carbonyl)-2,3-dihydro-1H-pyrrolo[3,2-e]indole-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(1,2,3,6-tetrahydropyrrolo[3,2-e]indole-2-carbonyl)-2,3-dihydro-1H-pyrrolo[3,2-e]indole-2-carboxylic acid?
The IUPAC name of 6-(1,2,3,6-tetrahydropyrrolo[3,2-e]indole-2-carbonyl)-2,3-dihydro-1H-pyrrolo[3,2-e]indole-2-carboxylic acid (CID 69423690) is 6-(1,2,3,6-tetrahydropyrrolo[3,2-e]indole-2-carbonyl)-2,3-dihydro-1H-pyrrolo[3,2-e]indole-2-carboxylic acid.
What is the SMILES notation for 6-(1,2,3,6-tetrahydropyrrolo[3,2-e]indole-2-carbonyl)-2,3-dihydro-1H-pyrrolo[3,2-e]indole-2-carboxylic acid?
The canonical SMILES for 6-(1,2,3,6-tetrahydropyrrolo[3,2-e]indole-2-carbonyl)-2,3-dihydro-1H-pyrrolo[3,2-e]indole-2-carboxylic acid is O=C(O)C1Cc2c(ccc3c2ccn3C(=O)C2Cc3c(ccc4[nH]ccc34)N2)N1.
What is the InChIKey of 6-(1,2,3,6-tetrahydropyrrolo[3,2-e]indole-2-carbonyl)-2,3-dihydro-1H-pyrrolo[3,2-e]indole-2-carboxylic acid?
The InChIKey is CMZDTGZBAWVUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O3/c27-21(18-9-13-11-5-7-23-15(11)1-2-16(13)24-18)26-8-6-12-14-10-19(22(28)29)25-17(14)3-4-20(12)26/h1-8,18-19,23-25H,9-10H2,(H,28,29).
What are the key properties of 6-(1,2,3,6-tetrahydropyrrolo[3,2-e]indole-2-carbonyl)-2,3-dihydro-1H-pyrrolo[3,2-e]indole-2-carboxylic acid?
6-(1,2,3,6-tetrahydropyrrolo[3,2-e]indole-2-carbonyl)-2,3-dihydro-1H-pyrrolo[3,2-e]indole-2-carboxylic acid has a molecular weight of 386.41 g/mol, XLogP of 3.22, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,2,3,6-tetrahydropyrrolo[3,2-e]indole-2-carbonyl)-2,3-dihydro-1H-pyrrolo[3,2-e]indole-2-carboxylic acid is sourced from PubChem (CID 69423690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).