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N-Cyclopentylmethyl-6-[5-(2-trifluoromethylbenzoyl)-3,4,5,6-tetrahydro-1H-pyrrolo-[3,4-c]pyrrol-2-yl]nicotinamide

HCID 59360911
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
O=C(NCC1CCCC1)c1ccc(N2CC3=C(CN(C(=O)c4ccccc4C(F)(F)F)C3)C2)nc1
InChIKey
RMSVUFZCPIPKRS-UHFFFAOYSA-N
Molecular formula
C26H27F3N4O2
Average molar mass
484.5 g/mol

Names & identifiers

Preferred name
N-Cyclopentylmethyl-6-[5-(2-trifluoromethylbenzoyl)-3,4,5,6-tetrahydro-1H-pyrrolo-[3,4-c]pyrrol-2-yl]nicotinamide
IUPAC
N-(cyclopentylmethyl)-6-[5-[2-(trifluoromethyl)benzoyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]pyridine-3-carboxamide

Names & synonyms

N-Cyclopentylmethyl-6-[5-(2-trifluoromethylbenzoyl)-3,4,5,6-tetrahydro-1H-pyrrolo-[3,4-c]pyrrol-2-yl]nicotinamideSCHEMBL2299489

Database identifiers

PubChem CID
59360911

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
65.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
5
Heavy atoms
35
Formal charge
0
Complexity
821

Related reactions

2 records
New reaction record
HRID 116971 reaction equation
HRID 116971As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 1675365 reaction equation
HRID 1675365As productuspto-grants-2011_08

Compound notes

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