BMS-754807
(2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-(6-fluoro-3-pyridinyl)-2-methylpyrrolidine-2-carboxamide
Molecular Identity
BMS-754807
(2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-(6-fluoro-3-pyridinyl)-2-methylpyrrolidine-2-carboxamide
PubChem CID: 24785538
BMS-754807 is a pyrrolotriazine that is pyrrolo[2,1-f][1,2,4]triazine which is substituted at position 2 by the pyrrolidine nitrogen of (2S)-N-(6-fluoropyridin-3-yl)-2-methylprolinamide, and at position 4 by a (5-cyclopropyl-1H-pyrazol-3-yl)amino group. It is a potent, reversible inhibitor of the insulin-like growth factor 1 receptor/insulin receptor family kinases. It has a role as an antineoplastic agent and an EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor. It is a member of pyrazoles, a member of pyridines, a member of pyrrolidines and a pyrrolotriazine.
2D Structure
Properties
C23H24FN9O
Molecular Formula
461.50
Molecular Weight
g/mol
461.2088
Exact Mass
Da
2.9
XLogP
Drug-like (Lipinski: < 5)
116
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
8
H-Bond Acceptors
756
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
BMS-7548071001350-96-4BMS 754807BMS754807W9E3353E8JBMS-754807-01(2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-(6-fluoropyridin-3-yl)-2-methylpyrrolidine-2-carboxamideCHEBI:88339(2S)-1-{4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl}-N-(6-fluoropyridin-3-yl)-2-methylpyrrolidine-2-carboxamide2-PYRROLIDINECARBOXAMIDE, 1-(4-((5-CYCLOPROPYL-1H-PYRAZOL-3-YL)AMINO)PYRROLO(2,1-F)(1,2,4)TRIAZIN-2-YL)-N-(6-FLUORO-3-PYRIDINYL)-2-METHYL-, (2S)-(2S)-1-(4-((5-cyclopropyl-1H-pyrazol-3-yl)amino)pyrrolo(2,1-f)(1,2,4)triazin-2-yl)-N-(6-fluoropyridin-3-yl)-2-methylpyrrolidine-2-carboxamideRefChem:569725DUAL IGF-1R/INSR INHIBITOR BMS-754807(S)-1-(4-((5-cyclopropyl-1H-pyrazol-3-yl)amino)pyrrolo[2,1-f][1,2,4]triazin-2-yl)-N-(6-fluoropyridin-3-yl)-2-methylpyrrolidine-2-carboxamideUNII-W9E3353E8J
Data from PubChem (NCBI)
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