3-[[5-(1H-indol-3-ylmethyl)pyrazin-2-yl]methyl]-1H-indole

C22H18N4 — CID 11131566

IUPAC3-[[5-(1H-indol-3-ylmethyl)pyrazin-2-yl]methyl]-1H-indole
SMILESc1ccc2c(Cc3cnc(Cc4c[nH]c5ccccc45)cn3)c[nH]c2c1
InChIInChI=1S/C22H18N4/c1-3-7-21-19(5-1)15(11-25-21)9-17-13-24-18(14-23-17)10-16-12-26-22-8-4-2-6-20(16)22/h1-8,11-14,25-26H,9-10H2
InChIKeyRHJXWEMDQPYNAJ-UHFFFAOYSA-N
MW338.41 g/mol
LogP4.62
Rot. Bonds4

About 3-[[5-(1H-indol-3-ylmethyl)pyrazin-2-yl]methyl]-1H-indole

3-[[5-(1H-indol-3-ylmethyl)pyrazin-2-yl]methyl]-1H-indole (PubChem CID 11131566) has the molecular formula C22H18N4 and a molecular weight of 338.41 g/mol. Its IUPAC name is 3-[[5-(1H-indol-3-ylmethyl)pyrazin-2-yl]methyl]-1H-indole.

Molecular Properties

Compound Name3-[[5-(1H-indol-3-ylmethyl)pyrazin-2-yl]methyl]-1H-indole
PubChem CID11131566
Molecular FormulaC22H18N4
Molecular Weight338.41 g/mol
Exact Mass338.15
IUPAC Name3-[[5-(1H-indol-3-ylmethyl)pyrazin-2-yl]methyl]-1H-indole
SMILESc1ccc2c(Cc3cnc(Cc4c[nH]c5ccccc45)cn3)c[nH]c2c1
InChIInChI=1S/C22H18N4/c1-3-7-21-19(5-1)15(11-25-21)9-17-13-24-18(14-23-17)10-16-12-26-22-8-4-2-6-20(16)22/h1-8,11-14,25-26H,9-10H2
InChIKeyRHJXWEMDQPYNAJ-UHFFFAOYSA-N
XLogP4.62
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[[5-(1H-indol-3-ylmethyl)pyrazin-2-yl]methyl]-1H-indole 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 3-[[5-(1H-indol-3-ylmethyl)pyrazin-2-yl]methyl]-1H-indole?
The IUPAC name of 3-[[5-(1H-indol-3-ylmethyl)pyrazin-2-yl]methyl]-1H-indole (CID 11131566) is 3-[[5-(1H-indol-3-ylmethyl)pyrazin-2-yl]methyl]-1H-indole.
What is the SMILES notation for 3-[[5-(1H-indol-3-ylmethyl)pyrazin-2-yl]methyl]-1H-indole?
The canonical SMILES for 3-[[5-(1H-indol-3-ylmethyl)pyrazin-2-yl]methyl]-1H-indole is c1ccc2c(Cc3cnc(Cc4c[nH]c5ccccc45)cn3)c[nH]c2c1.
What is the InChIKey of 3-[[5-(1H-indol-3-ylmethyl)pyrazin-2-yl]methyl]-1H-indole?
The InChIKey is RHJXWEMDQPYNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4/c1-3-7-21-19(5-1)15(11-25-21)9-17-13-24-18(14-23-17)10-16-12-26-22-8-4-2-6-20(16)22/h1-8,11-14,25-26H,9-10H2.
What are the key properties of 3-[[5-(1H-indol-3-ylmethyl)pyrazin-2-yl]methyl]-1H-indole?
3-[[5-(1H-indol-3-ylmethyl)pyrazin-2-yl]methyl]-1H-indole has a molecular weight of 338.41 g/mol, XLogP of 4.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(1H-indol-3-ylmethyl)pyrazin-2-yl]methyl]-1H-indole is sourced from PubChem (CID 11131566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).