6-[[4-[2-(4-tert-butylphenyl)imidazo[1,2-a]pyridin-8-yl]piperazin-1-yl]methyl]quinoxaline

C30H32N6 — CID 15602807

IUPAC6-[[4-[2-(4-tert-butylphenyl)imidazo[1,2-a]pyridin-8-yl]piperazin-1-yl]methyl]quinoxaline
SMILESCC(C)(C)c1ccc(-c2cn3cccc(N4CCN(Cc5ccc6nccnc6c5)CC4)c3n2)cc1
InChIInChI=1S/C30H32N6/c1-30(2,3)24-9-7-23(8-10-24)27-21-36-14-4-5-28(29(36)33-27)35-17-15-34(16-18-35)20-22-6-11-25-26(19-22)32-13-12-31-25/h4-14,19,21H,15-18,20H2,1-3H3
InChIKeyGZNCTLDXQUBFSD-UHFFFAOYSA-N
MW476.63 g/mol
LogP5.56
Rot. Bonds4

About 6-[[4-[2-(4-tert-butylphenyl)imidazo[1,2-a]pyridin-8-yl]piperazin-1-yl]methyl]quinoxaline

6-[[4-[2-(4-tert-butylphenyl)imidazo[1,2-a]pyridin-8-yl]piperazin-1-yl]methyl]quinoxaline (PubChem CID 15602807) has the molecular formula C30H32N6 and a molecular weight of 476.63 g/mol. Its IUPAC name is 6-[[4-[2-(4-tert-butylphenyl)imidazo[1,2-a]pyridin-8-yl]piperazin-1-yl]methyl]quinoxaline.

Molecular Properties

Compound Name6-[[4-[2-(4-tert-butylphenyl)imidazo[1,2-a]pyridin-8-yl]piperazin-1-yl]methyl]quinoxaline
PubChem CID15602807
Molecular FormulaC30H32N6
Molecular Weight476.63 g/mol
Exact Mass476.27
IUPAC Name6-[[4-[2-(4-tert-butylphenyl)imidazo[1,2-a]pyridin-8-yl]piperazin-1-yl]methyl]quinoxaline
SMILESCC(C)(C)c1ccc(-c2cn3cccc(N4CCN(Cc5ccc6nccnc6c5)CC4)c3n2)cc1
InChIInChI=1S/C30H32N6/c1-30(2,3)24-9-7-23(8-10-24)27-21-36-14-4-5-28(29(36)33-27)35-17-15-34(16-18-35)20-22-6-11-25-26(19-22)32-13-12-31-25/h4-14,19,21H,15-18,20H2,1-3H3
InChIKeyGZNCTLDXQUBFSD-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

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-[2-(4-tert-butylphenyl)imidazo[1,2-a]pyridin-8-yl]piperazin-1-yl]methyl]quinoxaline?
The IUPAC name of 6-[[4-[2-(4-tert-butylphenyl)imidazo[1,2-a]pyridin-8-yl]piperazin-1-yl]methyl]quinoxaline (CID 15602807) is 6-[[4-[2-(4-tert-butylphenyl)imidazo[1,2-a]pyridin-8-yl]piperazin-1-yl]methyl]quinoxaline.
What is the SMILES notation for 6-[[4-[2-(4-tert-butylphenyl)imidazo[1,2-a]pyridin-8-yl]piperazin-1-yl]methyl]quinoxaline?
The canonical SMILES for 6-[[4-[2-(4-tert-butylphenyl)imidazo[1,2-a]pyridin-8-yl]piperazin-1-yl]methyl]quinoxaline is CC(C)(C)c1ccc(-c2cn3cccc(N4CCN(Cc5ccc6nccnc6c5)CC4)c3n2)cc1.
What is the InChIKey of 6-[[4-[2-(4-tert-butylphenyl)imidazo[1,2-a]pyridin-8-yl]piperazin-1-yl]methyl]quinoxaline?
The InChIKey is GZNCTLDXQUBFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N6/c1-30(2,3)24-9-7-23(8-10-24)27-21-36-14-4-5-28(29(36)33-27)35-17-15-34(16-18-35)20-22-6-11-25-26(19-22)32-13-12-31-25/h4-14,19,21H,15-18,20H2,1-3H3.
What are the key properties of 6-[[4-[2-(4-tert-butylphenyl)imidazo[1,2-a]pyridin-8-yl]piperazin-1-yl]methyl]quinoxaline?
6-[[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 6-[[4-[2-(4-tert-butylphenyl)imidazo[1,2-a]pyridin-8-yl]piperazin-1-yl]methyl]quinoxaline is sourced from PubChem (CID 15602807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).