(R)-N-(4-(Chlorodifluoromethoxy)phenyl)-5-(5-(dimethylcarbamoyl)-1H-pyrrol-2-yl)-6-(3-hydroxypyrrolidin-1-yl)nicotinamide

HCID 89908237

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Basic information

Standard SMILES: CN(C)C(=O)c1ccc(-c2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cnc2N2CC[C@@H](O)C2)[nH]1
InChIKey: RLKSWYWWIPNWPB-MRXNPFEDSA-N
Molecular formula: C24H24ClF2N5O4
Average molar mass: 519.9 g/mol
Monoisotopic mass: 519.1484883

Names & identifiers

Preferred name: (R)-N-(4-(Chlorodifluoromethoxy)phenyl)-5-(5-(dimethylcarbamoyl)-1H-pyrrol-2-yl)-6-(3-hydroxypyrrolidin-1-yl)nicotinamide
IUPAC: N-[4-[chloro(difluoro)methoxy]phenyl]-5-[5-(dimethylcarbamoyl)-1H-pyrrol-2-yl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide

Names & synonyms

(R)-N-(4-(Chlorodifluoromethoxy)phenyl)-5-(5-(dimethylcarbamoyl)-1H-pyrrol-2-yl)-6-(3-hydroxypyrrolidin-1-yl)nicotinamideCHEMBL4115304SCHEMBL15393353BDBM230819US9340537, 73

Database identifiers

PubChem CID: 89908237
ChEMBL: CHEMBL4115304

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 111 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 8
Rotatable bonds: 7
Heavy atoms: 36
Formal charge: 0
Complexity: 786

Related reactions

1 records

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HRID 525747As productuspto-grants-2016_05

Compound notes

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