6-(3-(Aminomethyl)-3-fluoropyrrolidin-1-yl)-N-(4-(chlorodifluoromethoxy)phenyl)-5-(1H-pyrazol-5-yl)nicotinamide

HCID 89907357
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Basic information

Standard SMILES
NCC1(F)CCN(c2ncc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc2-c2ccn[nH]2)C1
InChIKey
FUDBJHIAMGYCHF-UHFFFAOYSA-N
Molecular formula
C21H20ClF3N6O2
Average molar mass
480.9 g/mol

Names & identifiers

Preferred name
6-(3-(Aminomethyl)-3-fluoropyrrolidin-1-yl)-N-(4-(chlorodifluoromethoxy)phenyl)-5-(1H-pyrazol-5-yl)nicotinamide
IUPAC
6-[3-(aminomethyl)-3-fluoropyrrolidin-1-yl]-N-[4-[chloro(difluoro)methoxy]phenyl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide

Names & synonyms

6-(3-(Aminomethyl)-3-fluoropyrrolidin-1-yl)-N-(4-(chlorodifluoromethoxy)phenyl)-5-(1H-pyrazol-5-yl)nicotinamideCHEMBL3951432SCHEMBL15392328BDBM230797US9340537, 51

Database identifiers

PubChem CID
89907357
ChEMBL
CHEMBL3951432

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
109 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
9
Rotatable bonds
7
Heavy atoms
33

Related reactions

1 records
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Compound notes

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