5-(3-amino-1H-indol-7-yl)-3-(1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid

C24H22N4O2 — CID 146350092

IUPAC5-(3-amino-1H-indol-7-yl)-3-(1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid
SMILESCC(C)c1c(-c2cccc3c(N)c[nH]c23)[nH]c(C(=O)O)c1-c1cccc2[nH]ccc12
InChIInChI=1S/C24H22N4O2/c1-12(2)19-20(14-5-4-8-18-13(14)9-10-26-18)23(24(29)30)28-22(19)16-7-3-6-15-17(25)11-27-21(15)16/h3-12,26-28H,25H2,1-2H3,(H,29,30)
InChIKeyOWFTWGMSYUPCLE-UHFFFAOYSA-N
MW398.47 g/mol
LogP5.72
Rot. Bonds4

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

5-(3-amino-1H-indol-7-yl)-3-(1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid (PubChem CID 146350092) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is 5-(3-amino-1H-indol-7-yl)-3-(1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name5-(3-amino-1H-indol-7-yl)-3-(1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid
PubChem CID146350092
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC Name5-(3-amino-1H-indol-7-yl)-3-(1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid
SMILESCC(C)c1c(-c2cccc3c(N)c[nH]c23)[nH]c(C(=O)O)c1-c1cccc2[nH]ccc12
InChIInChI=1S/C24H22N4O2/c1-12(2)19-20(14-5-4-8-18-13(14)9-10-26-18)23(24(29)30)28-22(19)16-7-3-6-15-17(25)11-27-21(15)16/h3-12,26-28H,25H2,1-2H3,(H,29,30)
InChIKeyOWFTWGMSYUPCLE-UHFFFAOYSA-N
XLogP5.72
TPSA110.69 Ų
H-Bond Donors5
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.47
LogP ≤ 55.72
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 102

Analyze 5-(3-amino-1H-indol-7-yl)-3-(1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-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 5-(3-amino-1H-indol-7-yl)-3-(1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 5-(3-amino-1H-indol-7-yl)-3-(1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid (CID 146350092) is 5-(3-amino-1H-indol-7-yl)-3-(1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 5-(3-amino-1H-indol-7-yl)-3-(1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 5-(3-amino-1H-indol-7-yl)-3-(1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid is CC(C)c1c(-c2cccc3c(N)c[nH]c23)[nH]c(C(=O)O)c1-c1cccc2[nH]ccc12.
What is the InChIKey of 5-(3-amino-1H-indol-7-yl)-3-(1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid?
The InChIKey is OWFTWGMSYUPCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2/c1-12(2)19-20(14-5-4-8-18-13(14)9-10-26-18)23(24(29)30)28-22(19)16-7-3-6-15-17(25)11-27-21(15)16/h3-12,26-28H,25H2,1-2H3,(H,29,30).
What are the key properties of 5-(3-amino-1H-indol-7-yl)-3-(1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid?
5-(3-amino-1H-indol-7-yl)-3-(1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid has a molecular weight of 398.47 g/mol, XLogP of 5.72, 4 rotatable bonds, 5 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-amino-1H-indol-7-yl)-3-(1H-indol-4-yl)-4-propan-2-yl-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 146350092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).