2-[6-(4-iodo-phenyl)-7-oxo-3-trifluoromethyl-4,5,6,7-tetrahydro-pyrazolo[3,4-c]pyridin-1-yl]-5-methoxy-N-[2-(1-methyl-pyrrolidin-2-yl)-ethyl]-benzamide

HCID 69313751
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Basic information

Standard SMILES
COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(I)cc2)CC3)c(C(=O)NCCC2CCCN2C)c1
InChIKey
WQPXSVVHFFGYNU-UHFFFAOYSA-N
Molecular formula
C28H29F3IN5O3
Average molar mass
667.5 g/mol

Names & identifiers

Preferred name
2-[6-(4-iodo-phenyl)-7-oxo-3-trifluoromethyl-4,5,6,7-tetrahydro-pyrazolo[3,4-c]pyridin-1-yl]-5-methoxy-N-[2-(1-methyl-pyrrolidin-2-yl)-ethyl]-benzamide
IUPAC
2-[6-(4-iodophenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide

Names & synonyms

2-[6-(4-iodo-phenyl)-7-oxo-3-trifluoromethyl-4,5,6,7-tetrahydro-pyrazolo[3,4-c]pyridin-1-yl]-5-methoxy-N-[2-(1-methyl-pyrrolidin-2-yl)-ethyl]-benzamideSCHEMBL5106847

Database identifiers

PubChem CID
69313751

Properties

Computed structural properties

XLogP
5
Topological polar surface area
79.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
8
Rotatable bonds
7
Heavy atoms
40

Related reactions

2 records
New reaction record

Compound notes

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