pirtobrutinib   Click here for help

GtoPdb Ligand ID: 11628

Synonyms: BTK inhibitor 16 | LOXO-305 | LOXO305
Compound class: Synthetic organic
Comment: Pirtobrutinib (LOXO-305) is a clinical stage, selective and reversible, oral Bruton' tyrosine kinase (BTK) inhibitor that was developed by LOXO oncology [2-3].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 9
Topological polar surface area 125.26
Molecular weight 479.16
XLogP 4.44
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES COc1ccc(cc1C(=O)NCc1ccc(cc1)c1nn(c(c1C(=O)N)N)[C@H](C(F)(F)F)C)F
Isomeric SMILES COc1ccc(cc1C(=O)NCc1ccc(cc1)c1nn(c(c1C(=O)N)N)[C@H](C(F)(F)F)C)F
InChI InChI=1S/C22H21F4N5O3/c1-11(22(24,25)26)31-19(27)17(20(28)32)18(30-31)13-5-3-12(4-6-13)10-29-21(33)15-9-14(23)7-8-16(15)34-2/h3-9,11H,10,27H2,1-2H3,(H2,28,32)(H,29,33)/t11-/m0/s1
InChI Key FWZAWAUZXYCBKZ-NSHDSACASA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
5-amino-3-[4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]-1-[(2S)-1,1,1-trifluoropropan-2-yl]pyrazole-4-carboxamide
International Nonproprietary Names Click here for help
INN number INN
11681 pirtobrutinib
Synonyms Click here for help
BTK inhibitor 16 | LOXO-305 | LOXO305
Database Links Click here for help
CAS Registry No. 2101700-15-4 (source: USAN record)
GtoPdb PubChem SID 442878662
PubChem CID 129269915
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