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Basic information
- Standard SMILES
O=C(Nc1n[nH]c2ccc(Cc3cc(F)cc(F)c3)cc12)c1ccc(NCC2CNC2)cc1NC1CCOCC1- InChIKey
YIHOZIOEJPDQOI-UHFFFAOYSA-N- Molecular formula
- C30H32F2N6O2
- Average molar mass
- 546.6 g/mol
- Monoisotopic mass
- 546.25548061
Names & identifiers
- Preferred name
- 4-[(azetidin-3-ylmethyl)amino]-N-[5-(3,5-difluorobenzyl)-1H-indazol-3-yl]-2-(tetrahydro-2H-pyran-4-ylamino)benzamide
- IUPAC
- 4-(azetidin-3-ylmethylamino)-N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-2-(oxan-4-ylamino)benzamide
Names & synonyms
SCHEMBL3512836YIHOZIOEJPDQOI-UHFFFAOYSA-N1108744-34-8DB-1231994-[(azetidin-3-ylmethyl)amino]-N-[5-(3,5-difluorobenzyl)-1H-indazol-3-yl]-2-(tetrahydro-2H-pyran-4-ylamino)benzamide
Database identifiers
- PubChem CID
- 59577342
Properties
Computed structural propertiesFilling in
- XLogP
- 5.4
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 820
Related reactions
6 records
Compound notes
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