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C-Met-IN-2 5mg

CAT: 0628-A19302-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0628-A19302-5Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1635406-73-3

Chemical Information

c-Met-IN-2
CAS Number1635406-73-3
PubChem CID134694986
IUPAC Name2-[4-[3-[1-[7-fluoro-3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol
Molecular FormulaC24H21FN10O
Molecular Weight484.5
XLogP1.2
Topological Polar Surface Area125
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Heavy Atom Count36
Formal Charge0
Complexity752
SMILES
CC(C1=CC2=CC(=CN=C2C=C1F)C3=CN(N=C3)C)N4C5=NC(=CN=C5N=N4)C6=CN(N=C6)CCO
InChI
InChI=1S/C24H21FN10O/c1-14(19-6-15-5-16(17-9-28-33(2)12-17)8-26-21(15)7-20(19)25)35-24-23(31-32-35)27-11-22(30-24)18-10-29-34(13-18)3-4-36/h5-14,36H,3-4H2,1-2H3
InChIKey
VLBZFDFQVGAJSP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of c-Met-IN-2
CAS: 1635406-73-3
CID: 134694986
Formula: C24H21FN10O
MW: 484.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight484.5
XLogP31.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass484.18838349
Monoisotopic Mass484.18838349
Topological Polar Surface Area125 Ų
Heavy Atom Count36
Formal Charge0
Complexity752
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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