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4-(((1R)-2-fluoro-1,2-dimethylpropyl)amino)-6-phenylpyrrolo[1,2-b]pyridazine-3-carboxamide

HCID 66547149
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Basic information

Standard SMILES
C[C@@H](Nc1c(C(N)=O)cnn2cc(-c3ccccc3)cc12)C(C)(C)F
InChIKey
DPHOCUGXKNWJTN-GFCCVEGCSA-N
Molecular formula
C19H21FN4O
Average molar mass
340.4 g/mol

Names & identifiers

Preferred name
4-(((1R)-2-fluoro-1,2-dimethylpropyl)amino)-6-phenylpyrrolo[1,2-b]pyridazine-3-carboxamide
IUPAC
4-[[(2R)-3-fluoro-3-methylbutan-2-yl]amino]-6-phenylpyrrolo[1,2-b]pyridazine-3-carboxamide

Names & synonyms

SCHEMBL12494207DPHOCUGXKNWJTN-GFCCVEGCSA-N4-(((1R)-2-fluoro-1,2-dimethylpropyl)amino)-6-phenylpyrrolo[1,2-b]pyridazine-3-carboxamide

Database identifiers

PubChem CID
66547149

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
72.4 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
25
Formal charge
0
Complexity
480

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Related reactions

1 records
New reaction record
HRID 1507913 reaction equation
HRID 1507913As productuspto-grants-2015_12

Compound notes

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