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BMS 754807

CAT: 1596-AR-M52649-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-M52649-02Size:25 Units
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CAS Number
1001350-96-4
Synonyms
(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-carboxamide
Molecular Formula
C23H24FN9O
Molecular Weight
461.49
API Name
BMS 754807

Chemical Information

Bms-754807

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.

CAS Number1001350-96-4
PubChem CID24785538
IUPAC Name(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 FormulaC23H24FN9O
Molecular Weight461.5
XLogP2.9
Topological Polar Surface Area116
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count34
Formal Charge0
Complexity756
SMILES
C[C@]1(CCCN1C2=NN3C=CC=C3C(=N2)NC4=NNC(=C4)C5CC5)C(=O)NC6=CN=C(C=C6)F
InChI
InChI=1S/C23H24FN9O/c1-23(21(34)26-15-7-8-18(24)25-13-15)9-3-10-32(23)22-28-20(17-4-2-11-33(17)31-22)27-19-12-16(29-30-19)14-5-6-14/h2,4,7-8,11-14H,3,5-6,9-10H2,1H3,(H,26,34)(H2,27,28,29,30,31)/t23-/m0/s1
InChIKey
LQVXSNNAFNGRAH-QHCPKHFHSA-N
Chemical Structure
2D Structure
2D structure of Bms-754807
CAS: 1001350-96-4
CID: 24785538
Formula: C23H24FN9O
MW: 461.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight461.5
XLogP32.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass461.20878459
Monoisotopic Mass461.20878459
Topological Polar Surface Area116 Ų
Heavy Atom Count34
Formal Charge0
Complexity756
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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FB64960-01BMS 754807

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