1-(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)-3-(3-(6,7-dimethoxyquinazolin-4-yloxy)-2-methylphenyl)urea

HCID 44243183

Basic information

Standard SMILES
COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(C(C)(C)C)nn4-c4ccccc4)c3C)c2cc1OC
InChIKey
FEJRITRFMRJINW-UHFFFAOYSA-N
Molecular formula
C31H32N6O4
Average molar mass
552.6 g/mol

Names & identifiers

Preferred name
1-(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)-3-(3-(6,7-dimethoxyquinazolin-4-yloxy)-2-methylphenyl)urea
IUPAC
1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-[3-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methylphenyl]urea

Names & synonyms

SCHEMBL1013551CHEMBL5835088FEJRITRFMRJINW-UHFFFAOYSA-NBDBM333739US9730937, Example 2891-(3-tert- butyl-1- phenyl-1H- pyrazol- 5-yl)-3-(3- (6,7- dimethoxy- quinazolin- 4- yloxy)-2- methylphenyl) urea1-(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)-3-(3-(6,7-dimethoxyquinazolin-4-yloxy)-2-methylphenyl)urea

Database identifiers

PubChem CID
44243183
ChEMBL
CHEMBL5835088

Properties

Computed structural properties

XLogP
6.3
Topological polar surface area
112 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
8
Heavy atoms
41

Related reactions

4 records

Compound notes

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