1-(4-benzoyl-2-methylpiperazin-1-yl)-2-(7-chloro-4-fluoro-1H-pyrrolo[2,3-c]pyridin-3-yl)ethane-1,2-dione

HCID 18009124
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Basic information

Standard SMILES
CC1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1c[nH]c2c(Cl)ncc(F)c12
InChIKey
DTGBWBVBJATRCM-UHFFFAOYSA-N
Molecular formula
C21H18ClFN4O3
Average molar mass
428.8 g/mol

Names & identifiers

Preferred name
1-(4-benzoyl-2-methylpiperazin-1-yl)-2-(7-chloro-4-fluoro-1H-pyrrolo[2,3-c]pyridin-3-yl)ethane-1,2-dione
IUPAC
1-(4-benzoyl-2-methylpiperazin-1-yl)-2-(7-chloro-4-fluoro-1H-pyrrolo[2,3-c]pyridin-3-yl)ethane-1,2-dione

Names & synonyms

SCHEMBL1763529

Database identifiers

PubChem CID
18009124

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
86.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
30

Related reactions

1 records
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Compound notes

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