(8Z)-8-[2-[1,3-bis(2,6-dimethylphenyl)imidazo[4,5-b]quinoxalin-2-ylidene]ethylidene]-7-methylpyrazolo[5,1-c][1,2,4]triazin-4-one

C33H28N8O — CID 170416999

IUPAC(8Z)-8-[2-[1,3-bis(2,6-dimethylphenyl)imidazo[4,5-b]quinoxalin-2-ylidene]ethylidene]-7-methylpyrazolo[5,1-c][1,2,4]triazin-4-one
SMILESCc1cccc(C)c1N1C(=C/C=c2/c(C)nn3c(=O)cnnc23)N(c2c(C)cccc2C)c2nc3ccccc3nc21
InChIInChI=1S/C33H28N8O/c1-19-10-8-11-20(2)29(19)39-27(17-16-24-23(5)38-41-28(42)18-34-37-31(24)41)40(30-21(3)12-9-13-22(30)4)33-32(39)35-25-14-6-7-15-26(25)36-33/h6-18H,1-5H3/b24-16-
InChIKeyCNAAXSVUTYYRMO-JLPGSUDCSA-N
MW552.64 g/mol
LogP5.30
Rot. Bonds3

About (8Z)-8-[2-[1,3-bis(2,6-dimethylphenyl)imidazo[4,5-b]quinoxalin-2-ylidene]ethylidene]-7-methylpyrazolo[5,1-c][1,2,4]triazin-4-one

(8Z)-8-[2-[1,3-bis(2,6-dimethylphenyl)imidazo[4,5-b]quinoxalin-2-ylidene]ethylidene]-7-methylpyrazolo[5,1-c][1,2,4]triazin-4-one (PubChem CID 170416999) has the molecular formula C33H28N8O and a molecular weight of 552.64 g/mol. Its IUPAC name is (8Z)-8-[2-[1,3-bis(2,6-dimethylphenyl)imidazo[4,5-b]quinoxalin-2-ylidene]ethylidene]-7-methylpyrazolo[5,1-c][1,2,4]triazin-4-one.

Molecular Properties

Compound Name(8Z)-8-[2-[1,3-bis(2,6-dimethylphenyl)imidazo[4,5-b]quinoxalin-2-ylidene]ethylidene]-7-methylpyrazolo[5,1-c][1,2,4]triazin-4-one
PubChem CID170416999
Molecular FormulaC33H28N8O
Molecular Weight552.64 g/mol
Exact Mass552.24
IUPAC Name(8Z)-8-[2-[1,3-bis(2,6-dimethylphenyl)imidazo[4,5-b]quinoxalin-2-ylidene]ethylidene]-7-methylpyrazolo[5,1-c][1,2,4]triazin-4-one
SMILESCc1cccc(C)c1N1C(=C/C=c2/c(C)nn3c(=O)cnnc23)N(c2c(C)cccc2C)c2nc3ccccc3nc21
InChIInChI=1S/C33H28N8O/c1-19-10-8-11-20(2)29(19)39-27(17-16-24-23(5)38-41-28(42)18-34-37-31(24)41)40(30-21(3)12-9-13-22(30)4)33-32(39)35-25-14-6-7-15-26(25)36-33/h6-18H,1-5H3/b24-16-
InChIKeyCNAAXSVUTYYRMO-JLPGSUDCSA-N
XLogP5.30
TPSA92.41 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.64
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze (8Z)-8-[2-[1,3-bis(2,6-dimethylphenyl)imidazo[4,5-b]quinoxalin-2-ylidene]ethylidene]-7-methylpyrazolo[5,1-c][1,2,4]triazin-4-one 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 (8Z)-8-[2-[1,3-bis(2,6-dimethylphenyl)imidazo[4,5-b]quinoxalin-2-ylidene]ethylidene]-7-methylpyrazolo[5,1-c][1,2,4]triazin-4-one?
The IUPAC name of (8Z)-8-[2-[1,3-bis(2,6-dimethylphenyl)imidazo[4,5-b]quinoxalin-2-ylidene]ethylidene]-7-methylpyrazolo[5,1-c][1,2,4]triazin-4-one (CID 170416999) is (8Z)-8-[2-[1,3-bis(2,6-dimethylphenyl)imidazo[4,5-b]quinoxalin-2-ylidene]ethylidene]-7-methylpyrazolo[5,1-c][1,2,4]triazin-4-one.
What is the SMILES notation for (8Z)-8-[2-[1,3-bis(2,6-dimethylphenyl)imidazo[4,5-b]quinoxalin-2-ylidene]ethylidene]-7-methylpyrazolo[5,1-c][1,2,4]triazin-4-one?
The canonical SMILES for (8Z)-8-[2-[1,3-bis(2,6-dimethylphenyl)imidazo[4,5-b]quinoxalin-2-ylidene]ethylidene]-7-methylpyrazolo[5,1-c][1,2,4]triazin-4-one is Cc1cccc(C)c1N1C(=C/C=c2/c(C)nn3c(=O)cnnc23)N(c2c(C)cccc2C)c2nc3ccccc3nc21.
What is the InChIKey of (8Z)-8-[2-[1,3-bis(2,6-dimethylphenyl)imidazo[4,5-b]quinoxalin-2-ylidene]ethylidene]-7-methylpyrazolo[5,1-c][1,2,4]triazin-4-one?
The InChIKey is CNAAXSVUTYYRMO-JLPGSUDCSA-N. The full InChI is InChI=1S/C33H28N8O/c1-19-10-8-11-20(2)29(19)39-27(17-16-24-23(5)38-41-28(42)18-34-37-31(24)41)40(30-21(3)12-9-13-22(30)4)33-32(39)35-25-14-6-7-15-26(25)36-33/h6-18H,1-5H3/b24-16-.
What are the key properties of (8Z)-8-[2-[1,3-bis(2,6-dimethylphenyl)imidazo[4,5-b]quinoxalin-2-ylidene]ethylidene]-7-methylpyrazolo[5,1-c][1,2,4]triazin-4-one?
(8Z)-8-[2-[1,3-bis(2,6-dimethylphenyl)imidazo[4,5-b]quinoxalin-2-ylidene]ethylidene]-7-methylpyrazolo[5,1-c][1,2,4]triazin-4-one has a molecular weight of 552.64 g/mol, XLogP of 5.30, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (8Z)-8-[2-[1,3-bis(2,6-dimethylphenyl)imidazo[4,5-b]quinoxalin-2-ylidene]ethylidene]-7-methylpyrazolo[5,1-c][1,2,4]triazin-4-one is sourced from PubChem (CID 170416999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).