4-Fluoro-N-[1-(1H-indol-3-ylmethyl)-2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]benzamide

HCID 17477649

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Basic information

CAS: 1099598-26-1
Standard SMILES: O=C(NC(Cc1c[nH]c2ccccc12)C(=O)N1CCN(c2ncccn2)CC1)c1ccc(F)cc1
InChIKey: RKSQEJYTTUEPDG-UHFFFAOYSA-N
Molecular formula: C26H25FN6O2
Average molar mass: 472.5 g/mol
Monoisotopic mass: 472.20230222

Names & identifiers

Preferred name: 4-Fluoro-N-[1-(1H-indol-3-ylmethyl)-2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]benzamide
IUPAC: 4-fluoro-N-[3-(1H-indol-3-yl)-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]benzamide

Names & synonyms

DTXSID901119568AKOS0339650021099598-26-14-Fluoro-N-[1-(1H-indol-3-ylmethyl)-2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]benzamideZ264455114-Fluoro-N-{3-(1H-indol-3-yl)-1-oxo-1-[4-(pyrimidin-2-yl)piperazin-1-yl]propan-2-yl}benzamide

Database identifiers

CAS: 1099598-26-1
PubChem CID: 17477649
DTXSID: DTXSID901119568

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 94.2 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 6
Rotatable bonds: 6
Heavy atoms: 35
Formal charge: 0
Complexity: 719

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