3-bromo-N-[3-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]propyl]-4-(3H-imidazo[4,5-c]pyridin-2-yl)benzamide

HCID 44534342

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Basic information

CAS: 1447714-23-9
Standard SMILES: COc1ccc(Cl)cc1N1CCN(CCCNC(=O)c2ccc(-c3nc4ccncc4[nH]3)c(Br)c2)CC1
InChIKey: SHPXCHDHWYHRBD-UHFFFAOYSA-N
Molecular formula: C27H28BrClN6O2
Average molar mass: 583.9 g/mol
Monoisotopic mass: 582.11456

Names & identifiers

Preferred name: 3-bromo-N-[3-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]propyl]-4-(3H-imidazo[4,5-c]pyridin-2-yl)benzamide
IUPAC: 3-bromo-N-[3-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]propyl]-4-(3H-imidazo[4,5-c]pyridin-2-yl)benzamide

Names & synonyms

TCMDC-140145CHEMBL546049DTXSID0011086311447714-23-9Benzamide, 3-bromo-N-[3-[4-(5-chloro-2-methoxyphenyl)-1-piperazinyl]propyl]-4-(3H-imidazo[4,5-c]pyridin-2-yl)-

Database identifiers

CAS: 1447714-23-9
PubChem CID: 44534342
DTXSID: DTXSID001108631
ChEMBL: CHEMBL546049

Properties

Computed structural properties

XLogP: 4.6
Topological polar surface area: 86.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 6
Rotatable bonds: 8
Heavy atoms: 37
Formal charge: 0
Complexity: 744

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