1-[4-(4-Fluoro-benzyl)-piperidin-1-yl]-2-(1H-indazol-6-yl-amino)-ethanone

HCID 69100299
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Basic information

CAS
496057-55-7
Standard SMILES
O=C(CNc1ccc2cn[nH]c2c1)N1CCC(Cc2ccc(F)cc2)CC1
InChIKey
JEGCEOBJJAYIJA-UHFFFAOYSA-N
Molecular formula
C21H23FN4O
Average molar mass
366.4 g/mol
Monoisotopic mass
366.18558953

Names & identifiers

Preferred name
1-[4-(4-Fluoro-benzyl)-piperidin-1-yl]-2-(1H-indazol-6-yl-amino)-ethanone
IUPAC
1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-(1H-indazol-6-ylamino)ethanone

Names & synonyms

SCHEMBL4577575JEGCEOBJJAYIJA-UHFFFAOYSA-NDTXSID8011396481-[4-(4-Fluoro-benzyl)-piperidin-1-yl]-2-(1H-indazol-6-yl-amino)-ethanone1-[4-[(4-Fluorophenyl)methyl]-1-piperidinyl]-2-(1H-indazol-6-ylamino)ethanone1-{4-[(4-Fluorophenyl)methyl]piperidin-1-yl}-2-[(1H-indazol-6-yl)amino]ethan-1-one496057-55-7

Database identifiers

CAS
496057-55-7
PubChem CID
69100299
DTXSID
DTXSID801139648

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
61 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
27

Related reactions

2 records
New reaction record

Compound notes

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CAS 496057-55-7 1-[4-(4-Fluoro-benzyl)-piperidin-1-yl]-2-(1H-indazol-6-yl-amino)-ethanone (HCID 69100299)｜Huagongshe