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6-chloro-1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1,2-dihydro-3-pyridinyl)methyl]-1H-indazole-4-carboxamide

HCID 54597231
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
Cc1cc(C)c(CNC(=O)c2cc(Cl)cc3c2cnn3C2CCCC2)c(=O)[nH]1
InChIKey
RBWPGWVOALJICT-UHFFFAOYSA-N
Molecular formula
C21H23ClN4O2
Average molar mass
398.9 g/mol
Monoisotopic mass
398.1509537

Names & identifiers

Preferred name
6-chloro-1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1,2-dihydro-3-pyridinyl)methyl]-1H-indazole-4-carboxamide
IUPAC
6-chloro-1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]indazole-4-carboxamide

Names & synonyms

CHEMBL5763781SCHEMBL12180727SCHEMBL30387624RBWPGWVOALJICT-UHFFFAOYSA-N6-chloro-1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1,2-dihydro-3-pyridinyl)methyl]-1H-indazole-4-carboxamide

Database identifiers

PubChem CID
54597231
ChEMBL
CHEMBL5763781

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
76 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
28
Formal charge
0
Complexity
713

Related reactions

3 records
New reaction record
HRID 85467 reaction equation
HRID 85467As productuspto-grants-2014_09
HRID 203240 reaction equation
HRID 203240As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 1476432 reaction equation
HRID 1476432As productuspto-grants-2015_04

Compound notes

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