2-(1-{[5-(Difluoromethoxy)-2-methylphenyl]carbonyl}piperidin-4-yl)-5-(7-methoxy-3H-spiro[1-benzofuran-2,1'-cyclopentan]-4-yl)-4,4-dimethyl-2,4-dihydro-3H-pyrazol-3-one

HCID 67385993
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Basic information

Standard SMILES
COc1ccc(C2=NN(C3CCN(C(=O)c4cc(OC(F)F)ccc4C)CC3)C(=O)C2(C)C)c2c1OC1(CCCC1)C2
InChIKey
ASIZLMYVLCVJKN-UHFFFAOYSA-N
Molecular formula
C32H37F2N3O5
Average molar mass
581.6 g/mol
Monoisotopic mass
581.27012761

Names & identifiers

Preferred name
2-(1-{[5-(Difluoromethoxy)-2-methylphenyl]carbonyl}piperidin-4-yl)-5-(7-methoxy-3H-spiro[1-benzofuran-2,1'-cyclopentan]-4-yl)-4,4-dimethyl-2,4-dihydro-3H-pyrazol-3-one
IUPAC
2-[1-[5-(difluoromethoxy)-2-methylbenzoyl]piperidin-4-yl]-5-(7-methoxyspiro[3H-1-benzofuran-2,1'-cyclopentane]-4-yl)-4,4-dimethylpyrazol-3-one

Names & synonyms

2-(1-{[5-(Difluoromethoxy)-2-methylphenyl]carbonyl}piperidin-4-yl)-5-(7-methoxy-3H-spiro[1-benzofuran-2,1'-cyclopentan]-4-yl)-4,4-dimethyl-2,4-dihydro-3H-pyrazol-3-oneSCHEMBL2378179

Database identifiers

PubChem CID
67385993

Properties

Computed structural properties

XLogP
6.4
Topological polar surface area
80.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
8
Rotatable bonds
6
Heavy atoms
42

Related reactions

3 records
New reaction record

Compound notes

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