BMS-599626
[(3S)-morpholin-3-yl]methyl N-[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]carbamate
Molecular Identity
BMS-599626
[(3S)-morpholin-3-yl]methyl N-[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]carbamate
PubChem CID: 10437018
2D Structure
Properties
C27H27FN8O3
Molecular Formula
530.60
Molecular Weight
g/mol
530.2190
Exact Mass
Da
2.8
XLogP
Drug-like (Lipinski: < 5)
120
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
9
H-Bond Acceptors
828
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
BMS-599626714971-09-2AC480BMS 599626AC-480BMS5996262252724U5NDTXSID60221714Carbamic acid, N-(4-((1-((3-fluorophenyl)methyl)-1H-indazol-5-yl)amino)-5-methylpyrrolo(2,1-F)(1,2,4)triazin-6-yl)-, (3S)-3-morpholinylmethyl ester[(3S)-morpholin-3-yl]methyl N-[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]carbamate((3S)-morpholin-3-yl)methyl N-(4-((1-((3-fluorophenyl)methyl)indazol-5-yl)amino)-5-methylpyrrolo(2,1-f)(1,2,4)triazin-6-yl)carbamateRefChem:120731DTXCID90144205PAN-HER KINASE INHIBITOR AC480((3S)-morpholin-3-yl)methyl N-(4-((1-((3-fluorophenyl)methyl)-1H-indazol-5-yl)amino)-5-methylpyrrolo(2,1-f)(1,2,4)triazin-6-yl)carbamate
Data from PubChem (NCBI)
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