1-[3-(3-Fluoro-phenylamino)-6,7-dimethoxy-4H-indeno[1,2-c]pyrazol-1-yl]-3-pyrrolidin-1-yl-propane-1,3-dione

HCID 18445442
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Basic information

Standard SMILES
COc1cc2c(cc1OC)-c1c(c(Nc3cccc(F)c3)nn1C(=O)CC(=O)N1CCCC1)C2
InChIKey
JMDYDQGLAWELPD-UHFFFAOYSA-N
Molecular formula
C25H25FN4O4
Average molar mass
464.5 g/mol

Names & identifiers

Preferred name
1-[3-(3-Fluoro-phenylamino)-6,7-dimethoxy-4H-indeno[1,2-c]pyrazol-1-yl]-3-pyrrolidin-1-yl-propane-1,3-dione
IUPAC
1-[3-(3-fluoroanilino)-6,7-dimethoxy-4H-indeno[2,1-d]pyrazol-1-yl]-3-pyrrolidin-1-ylpropane-1,3-dione

Names & synonyms

SCHEMBL3083623JMDYDQGLAWELPD-UHFFFAOYSA-N1-[3-(3-Fluoro-phenylamino)-6,7-dimethoxy-4H-indeno[1,2-c]pyrazol-1-yl]-3-pyrrolidin-1-yl-propane-1,3-dione

Database identifiers

PubChem CID
18445442

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
85.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
6
Heavy atoms
34

Related reactions

3 records
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Compound notes

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