2-[4-(6-Amino-5-cyano-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenoxy]acetamide
Basic information
- CAS
489397-38-8- Standard SMILES
N#CC1=C(N)Oc2n[nH]c(-c3ccccc3)c2C1c1ccc(OCC(N)=O)cc1- InChIKey
BWJXBPZUGMQKNJ-UHFFFAOYSA-N- Molecular formula
- C21H17N5O3
- Average molar mass
- 387.4 g/mol
- Monoisotopic mass
- 387.13313942
Names & identifiers
- Preferred name
- 2-[4-(6-Amino-5-cyano-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenoxy]acetamide
- IUPAC
- 2-[4-(6-amino-5-cyano-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenoxy]acetamide
- English name
- 2-{[4-(6-amino-5-cyano-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenyl]oxy}acetamide
- Molecular formula
- C21H17N5O3
- Molecular weight
- 387.39
Names & synonyms
489397-38-82-[4-(6-amino-5-cyano-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenoxy]acetamide2-{[4-(6-amino-5-cyano-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenyl]oxy}acetamide2-(4-(6-amino-5-cyano-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenoxy)acetamideOprea1_478071CHEMBL3326314STL044235AKOS003684213AKOS005697255AM-807/136142332-[4-(6-amino-5-cyano-3-phenyl-1,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenoxy]acetamideAcetamide, 2-[4-(6-amino-5-cyano-2,4-dihydro-3-phenylpyrano[2,3-c]pyrazol-4-yl)phenoxy]-
Database identifiers
- CAS
489397-38-8- PubChem CID
- 3725459
- ChEMBL
CHEMBL3326314
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 688
Physicochemical properties
- Boiling point
- 766.2 · 766.2±60.0 °C(Predicted)
- Density
- 1.46 · 1.46±0.1 g/cm3(Predicted)
- pka
- 10.87 · 10.87±0.70(Predicted)
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