2-[di(pyrrol-1-yl)amino]ethyl 1-phenylindole-2-carboxylate

C25H22N4O2 — CID 57340213

IUPAC2-[di(pyrrol-1-yl)amino]ethyl 1-phenylindole-2-carboxylate
SMILESO=C(OCCN(n1cccc1)n1cccc1)c1cc2ccccc2n1-c1ccccc1
InChIInChI=1S/C25H22N4O2/c30-25(31-19-18-28(26-14-6-7-15-26)27-16-8-9-17-27)24-20-21-10-4-5-13-23(21)29(24)22-11-2-1-3-12-22/h1-17,20H,18-19H2
InChIKeyYWKSPPWUQKZZBI-UHFFFAOYSA-N
MW410.48 g/mol
LogP4.49
Rot. Bonds7

About 2-[di(pyrrol-1-yl)amino]ethyl 1-phenylindole-2-carboxylate

2-[di(pyrrol-1-yl)amino]ethyl 1-phenylindole-2-carboxylate (PubChem CID 57340213) has the molecular formula C25H22N4O2 and a molecular weight of 410.48 g/mol. Its IUPAC name is 2-[di(pyrrol-1-yl)amino]ethyl 1-phenylindole-2-carboxylate.

Molecular Properties

Compound Name2-[di(pyrrol-1-yl)amino]ethyl 1-phenylindole-2-carboxylate
PubChem CID57340213
Molecular FormulaC25H22N4O2
Molecular Weight410.48 g/mol
Exact Mass410.17
IUPAC Name2-[di(pyrrol-1-yl)amino]ethyl 1-phenylindole-2-carboxylate
SMILESO=C(OCCN(n1cccc1)n1cccc1)c1cc2ccccc2n1-c1ccccc1
InChIInChI=1S/C25H22N4O2/c30-25(31-19-18-28(26-14-6-7-15-26)27-16-8-9-17-27)24-20-21-10-4-5-13-23(21)29(24)22-11-2-1-3-12-22/h1-17,20H,18-19H2
InChIKeyYWKSPPWUQKZZBI-UHFFFAOYSA-N
XLogP4.49
TPSA44.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[di(pyrrol-1-yl)amino]ethyl 1-phenylindole-2-carboxylate 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 2-[di(pyrrol-1-yl)amino]ethyl 1-phenylindole-2-carboxylate?
The IUPAC name of 2-[di(pyrrol-1-yl)amino]ethyl 1-phenylindole-2-carboxylate (CID 57340213) is 2-[di(pyrrol-1-yl)amino]ethyl 1-phenylindole-2-carboxylate.
What is the SMILES notation for 2-[di(pyrrol-1-yl)amino]ethyl 1-phenylindole-2-carboxylate?
The canonical SMILES for 2-[di(pyrrol-1-yl)amino]ethyl 1-phenylindole-2-carboxylate is O=C(OCCN(n1cccc1)n1cccc1)c1cc2ccccc2n1-c1ccccc1.
What is the InChIKey of 2-[di(pyrrol-1-yl)amino]ethyl 1-phenylindole-2-carboxylate?
The InChIKey is YWKSPPWUQKZZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O2/c30-25(31-19-18-28(26-14-6-7-15-26)27-16-8-9-17-27)24-20-21-10-4-5-13-23(21)29(24)22-11-2-1-3-12-22/h1-17,20H,18-19H2.
What are the key properties of 2-[di(pyrrol-1-yl)amino]ethyl 1-phenylindole-2-carboxylate?
2-[di(pyrrol-1-yl)amino]ethyl 1-phenylindole-2-carboxylate has a molecular weight of 410.48 g/mol, XLogP of 4.49, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[di(pyrrol-1-yl)amino]ethyl 1-phenylindole-2-carboxylate is sourced from PubChem (CID 57340213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).