ethyl 4-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methoxy]-1-phenylpyrazole-3-carboxylate

C23H20N6O4 — CID 55868182

IUPACethyl 4-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methoxy]-1-phenylpyrazole-3-carboxylate
SMILESCCOC(=O)c1nn(-c2ccccc2)cc1OCc1nnc2n(C)c(=O)c3ccccc3n12
InChIInChI=1S/C23H20N6O4/c1-3-32-22(31)20-18(13-28(26-20)15-9-5-4-6-10-15)33-14-19-24-25-23-27(2)21(30)16-11-7-8-12-17(16)29(19)23/h4-13H,3,14H2,1-2H3
InChIKeyZLKUTKHBEFPYFB-UHFFFAOYSA-N
MW444.45 g/mol
LogP2.52
Rot. Bonds6

About ethyl 4-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methoxy]-1-phenylpyrazole-3-carboxylate

ethyl 4-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methoxy]-1-phenylpyrazole-3-carboxylate (PubChem CID 55868182) has the molecular formula C23H20N6O4 and a molecular weight of 444.45 g/mol. Its IUPAC name is ethyl 4-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methoxy]-1-phenylpyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methoxy]-1-phenylpyrazole-3-carboxylate
PubChem CID55868182
Molecular FormulaC23H20N6O4
Molecular Weight444.45 g/mol
Exact Mass444.15
IUPAC Nameethyl 4-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methoxy]-1-phenylpyrazole-3-carboxylate
SMILESCCOC(=O)c1nn(-c2ccccc2)cc1OCc1nnc2n(C)c(=O)c3ccccc3n12
InChIInChI=1S/C23H20N6O4/c1-3-32-22(31)20-18(13-28(26-20)15-9-5-4-6-10-15)33-14-19-24-25-23-27(2)21(30)16-11-7-8-12-17(16)29(19)23/h4-13H,3,14H2,1-2H3
InChIKeyZLKUTKHBEFPYFB-UHFFFAOYSA-N
XLogP2.52
TPSA105.54 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.45
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze ethyl 4-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methoxy]-1-phenylpyrazole-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1,3-Dimethyl-2,6-dioxopurin-7-yl)ethyl 4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxylate
CID 31201796
Ethyl 4-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]-1-phenylpyrazole-3-carboxylate
CID 55868440
Ethyl 4-[[4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]quinazolin-2-yl]methyl]-5-oxopyrazolo[1,5-a]quinazoline-2-carboxylate
CID 130230441
Ethane;ethyl 4-[3-(1,3-benzoxazol-2-yl)-2-methoxyanilino]-2-[(1-methylpyrazol-3-yl)amino]pyrimidine-5-carboxylate
CID 171626368
Ethyl 4-[3-(1,3-benzoxazol-2-yl)-2-methoxyanilino]-2-[(1-methylpyrazol-3-yl)amino]pyrimidine-5-carboxylate
CID 171626369
Methyl 10-phenyl-6-phenylmethoxy-[1,2,4]triazolo[5,1-f][1,6]naphthyridine-5-carboxylate
CID 176402966
[3-(Cyanomethyl)-4-oxoquinazolin-2-yl]methyl 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 9380715
(6-Methylimidazo[1,2-a]pyridin-2-yl)methyl 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 9380722
[4-Amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 16339404
(4-Methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl 5-methyl-1-phenylpyrazole-4-carboxylate
CID 17508001
(2-Phenyl-1,3-oxazol-4-yl)methyl 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 18109720
(8-Methylimidazo[1,2-a]pyridin-2-yl)methyl 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 25341429

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methoxy]-1-phenylpyrazole-3-carboxylate?
The IUPAC name of ethyl 4-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methoxy]-1-phenylpyrazole-3-carboxylate (CID 55868182) is ethyl 4-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methoxy]-1-phenylpyrazole-3-carboxylate.
What is the SMILES notation for ethyl 4-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methoxy]-1-phenylpyrazole-3-carboxylate?
The canonical SMILES for ethyl 4-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methoxy]-1-phenylpyrazole-3-carboxylate is CCOC(=O)c1nn(-c2ccccc2)cc1OCc1nnc2n(C)c(=O)c3ccccc3n12.
What is the InChIKey of ethyl 4-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methoxy]-1-phenylpyrazole-3-carboxylate?
The InChIKey is ZLKUTKHBEFPYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O4/c1-3-32-22(31)20-18(13-28(26-20)15-9-5-4-6-10-15)33-14-19-24-25-23-27(2)21(30)16-11-7-8-12-17(16)29(19)23/h4-13H,3,14H2,1-2H3.
What are the key properties of ethyl 4-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methoxy]-1-phenylpyrazole-3-carboxylate?
ethyl 4-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methoxy]-1-phenylpyrazole-3-carboxylate has a molecular weight of 444.45 g/mol, XLogP of 2.52, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methoxy]-1-phenylpyrazole-3-carboxylate is sourced from PubChem (CID 55868182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).