2-[[4-[2-(4-tert-butylphenyl)imidazo[1,2-a]pyridin-8-yl]piperazin-1-yl]methyl]quinoxaline

C30H32N6 — CID 15602808

IUPAC2-[[4-[2-(4-tert-butylphenyl)imidazo[1,2-a]pyridin-8-yl]piperazin-1-yl]methyl]quinoxaline
SMILESCC(C)(C)c1ccc(-c2cn3cccc(N4CCN(Cc5cnc6ccccc6n5)CC4)c3n2)cc1
InChIInChI=1S/C30H32N6/c1-30(2,3)23-12-10-22(11-13-23)27-21-36-14-6-9-28(29(36)33-27)35-17-15-34(16-18-35)20-24-19-31-25-7-4-5-8-26(25)32-24/h4-14,19,21H,15-18,20H2,1-3H3
InChIKeyWOAMDMFWAMZNGK-UHFFFAOYSA-N
MW476.63 g/mol
LogP5.56
Rot. Bonds4

About 2-[[4-[2-(4-tert-butylphenyl)imidazo[1,2-a]pyridin-8-yl]piperazin-1-yl]methyl]quinoxaline

2-[[4-[2-(4-tert-butylphenyl)imidazo[1,2-a]pyridin-8-yl]piperazin-1-yl]methyl]quinoxaline (PubChem CID 15602808) has the molecular formula C30H32N6 and a molecular weight of 476.63 g/mol. Its IUPAC name is 2-[[4-[2-(4-tert-butylphenyl)imidazo[1,2-a]pyridin-8-yl]piperazin-1-yl]methyl]quinoxaline.

Molecular Properties

Compound Name2-[[4-[2-(4-tert-butylphenyl)imidazo[1,2-a]pyridin-8-yl]piperazin-1-yl]methyl]quinoxaline
PubChem CID15602808
Molecular FormulaC30H32N6
Molecular Weight476.63 g/mol
Exact Mass476.27
IUPAC Name2-[[4-[2-(4-tert-butylphenyl)imidazo[1,2-a]pyridin-8-yl]piperazin-1-yl]methyl]quinoxaline
SMILESCC(C)(C)c1ccc(-c2cn3cccc(N4CCN(Cc5cnc6ccccc6n5)CC4)c3n2)cc1
InChIInChI=1S/C30H32N6/c1-30(2,3)23-12-10-22(11-13-23)27-21-36-14-6-9-28(29(36)33-27)35-17-15-34(16-18-35)20-24-19-31-25-7-4-5-8-26(25)32-24/h4-14,19,21H,15-18,20H2,1-3H3
InChIKeyWOAMDMFWAMZNGK-UHFFFAOYSA-N
XLogP5.56
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.63
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[[4-[2-(4-tert-butylphenyl)imidazo[1,2-a]pyridin-8-yl]piperazin-1-yl]methyl]quinoxaline 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-[[4-[2-(4-tert-butylphenyl)imidazo[1,2-a]pyridin-8-yl]piperazin-1-yl]methyl]quinoxaline?
The IUPAC name of 2-[[4-[2-(4-tert-butylphenyl)imidazo[1,2-a]pyridin-8-yl]piperazin-1-yl]methyl]quinoxaline (CID 15602808) is 2-[[4-[2-(4-tert-butylphenyl)imidazo[1,2-a]pyridin-8-yl]piperazin-1-yl]methyl]quinoxaline.
What is the SMILES notation for 2-[[4-[2-(4-tert-butylphenyl)imidazo[1,2-a]pyridin-8-yl]piperazin-1-yl]methyl]quinoxaline?
The canonical SMILES for 2-[[4-[2-(4-tert-butylphenyl)imidazo[1,2-a]pyridin-8-yl]piperazin-1-yl]methyl]quinoxaline is CC(C)(C)c1ccc(-c2cn3cccc(N4CCN(Cc5cnc6ccccc6n5)CC4)c3n2)cc1.
What is the InChIKey of 2-[[4-[2-(4-tert-butylphenyl)imidazo[1,2-a]pyridin-8-yl]piperazin-1-yl]methyl]quinoxaline?
The InChIKey is WOAMDMFWAMZNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N6/c1-30(2,3)23-12-10-22(11-13-23)27-21-36-14-6-9-28(29(36)33-27)35-17-15-34(16-18-35)20-24-19-31-25-7-4-5-8-26(25)32-24/h4-14,19,21H,15-18,20H2,1-3H3.
What are the key properties of 2-[[4-[2-(4-tert-butylphenyl)imidazo[1,2-a]pyridin-8-yl]piperazin-1-yl]methyl]quinoxaline?
2-[[4-[2-(4-tert-butylphenyl)imidazo[1,2-a]pyridin-8-yl]piperazin-1-yl]methyl]quinoxaline has a molecular weight of 476.63 g/mol, XLogP of 5.56, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[2-(4-tert-butylphenyl)imidazo[1,2-a]pyridin-8-yl]piperazin-1-yl]methyl]quinoxaline is sourced from PubChem (CID 15602808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).