1-(3-tert-butyl-1-(6-methylpyridin-3-yl)-1H-pyrazol-5-yl)-3-(3-(6,7-dimethoxyquinazolin-4-yloxy)phenyl)urea
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Basic information
- Standard SMILES
COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(C(C)(C)C)nn4-c4ccc(C)nc4)c3)c2cc1OC- InChIKey
GPEMYARKKWBMFF-UHFFFAOYSA-N- Molecular formula
- C30H31N7O4
- Average molar mass
- 553.6 g/mol
- Monoisotopic mass
- 553.2437525
Names & identifiers
- Preferred name
- 1-(3-tert-butyl-1-(6-methylpyridin-3-yl)-1H-pyrazol-5-yl)-3-(3-(6,7-dimethoxyquinazolin-4-yloxy)phenyl)urea
- IUPAC
- 1-[3-tert-butyl-1-(6-methyl-3-pyridinyl)pyrazol-5-yl]-3-[3-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]urea
Names & synonyms
SCHEMBL1012613CHEMBL5943636GPEMYARKKWBMFF-UHFFFAOYSA-NBDBM333762US9730937, Example 3121-(3-tert- butyl-1-(6- methylpyridin- 3-yl)- 1H- pyrazol-5-yl)- 3-(3- (6,7- dimethoxy- quinazolin- 4-yloxy) phenyl)urea1-(3-tert-butyl-1-(6-methylpyridin-3-yl)-1H-pyrazol-5-yl)-3-(3-(6,7-dimethoxyquinazolin-4-yloxy)phenyl)urea
Database identifiers
- PubChem CID
- 44243264
- ChEMBL
CHEMBL5943636
Properties
Computed structural propertiesFilling in
- XLogP
- 5.2
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 859
Related reactions
4 records
Compound notes
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