N1-(5-(3,5-difluorobenzyl)-1H-indazol-3-yl)-N4-(2-(dimethylamino)ethyl)-N4-methyl-2-(tetrahydro-2H-pyran-4-ylamino)benzene-1,4-diamide

HCID 59577331

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Basic information

CAS: 1108744-07-5
Standard SMILES: CN(C)CCN(C)C(=O)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1
InChIKey: ZIPMVFDKNBGKAT-UHFFFAOYSA-N
Molecular formula: C32H36F2N6O3
Average molar mass: 590.7 g/mol
Monoisotopic mass: 590.28169536

Names & identifiers

Preferred name: N1-(5-(3,5-difluorobenzyl)-1H-indazol-3-yl)-N4-(2-(dimethylamino)ethyl)-N4-methyl-2-(tetrahydro-2H-pyran-4-ylamino)benzene-1,4-diamide
IUPAC: 1-N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-4-N-[2-(dimethylamino)ethyl]-4-N-methyl-2-(oxan-4-ylamino)benzene-1,4-dicarboxamide

Names & synonyms

CHEMBL38057411108744-07-5SCHEMBL3511602DTXSID801351951BDBM50170105N1-(5-(3,5-difluorobenzyl)-1H-indazol-3-yl)-N4-(2-(dimethylamino)ethyl)-N4-methyl-2-(tetrahydro-2H-pyran-4-ylamino)benzene-1,4-diamideDB-125670N1-[5-(3,5-Difluorobenzyl)-1H-indazol-3-yl]-N4-[2-(dimethylamino)ethyl]-N4-methyl-2-(tetrahydro-2H-pyran-4-ylamino)terephthalamide

Database identifiers

CAS: 1108744-07-5
PubChem CID: 59577331
DTXSID: DTXSID801351951
ChEMBL: CHEMBL3805741

Properties

Computed structural properties

XLogP: 5.3
Topological polar surface area: 103 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 8
Rotatable bonds: 10
Heavy atoms: 43
Formal charge: 0
Complexity: 914

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