Molecule

1'-[[3-(difluoromethoxy)phenyl]methyl]-4-(2-methoxyethyl)spiro[6H-pyrazolo[1,5-a]pyrimidine-7,4'-piperidine]-5-one

AlkaPlorer ID: AK513416

Synonym: None

IUPAC Name: 1'-[[3-(difluoromethoxy)phenyl]methyl]-4-(2-methoxyethyl)spiro[6H-pyrazolo[1,5-a]pyrimidine-7,4'-piperidine]-5-one

Structure

SMILES: COCCN1C(=O)CC2(CCN(CC3=CC=CC(OC(F)F)=C3)CC2)N2N=CC=C12

InChI: InChI=1S/C21H26F2N4O3/c1-29-12-11-26-18-5-8-24-27(18)21(14-19(26)28)6-9-25(10-7-21)15-16-3-2-4-17(13-16)30-20(22)23/h2-5,8,13,20H,6-7,9-12,14-15H2,1H3

InChIKey: RNFCRCQLGBPRER-UHFFFAOYSA-N

Reference

Bile acid profiling in human biological samples: Comparison of extraction procedures and application to normal and cholestatic patients

Differentiated quantification of human bile acids in serum by high-performance liquid chromatography–tandem mass spectrometry

PubChem CID: 145873144

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain

Properties Information

Molecule Weight: 420.4600000000001

TPSA？: 59.830000000000005

MolLogP？: 2.858900000000001

Number of H-Donors: 0

Number of H-Acceptors: 6

RingCount: 4

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi