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MRTX9768

CAT: 0127-BUP03437-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP03437-01Size:5 mg
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CAS Number
2629314-68-5
Purity
=95%
Smiles
Cn1ncc(c1-c1c(F)cc2ccccc2c1C#N)-c1ccc2c(c1)c(CN)n[nH]c2=O

Chemical Information

2-(4-(4-(aminomethyl)-1-oxo-1,2-dihydrophthalazin-6-yl)-1-methyl-1H-pyrazol-5-yl)-3-fluoro-1-naphthonitrile
CAS Number2629314-68-5
PubChem CID156151804
IUPAC Name2-[4-[4-(aminomethyl)-1-oxo-2H-phthalazin-6-yl]-1-methylpyrazol-5-yl]-3-fluoronaphthalene-1-carbonitrile
Molecular FormulaC24H17FN6O
Molecular Weight424.4
XLogP2.8
Topological Polar Surface Area109
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count32
Formal Charge0
Complexity810
SMILES
CN1C(=C(C=N1)C2=CC3=C(C=C2)C(=O)NN=C3CN)C4=C(C5=CC=CC=C5C=C4F)C#N
InChI
InChI=1S/C24H17FN6O/c1-31-23(22-18(10-26)15-5-3-2-4-13(15)9-20(22)25)19(12-28-31)14-6-7-16-17(8-14)21(11-27)29-30-24(16)32/h2-9,12H,11,27H2,1H3,(H,30,32)
InChIKey
BPTYWAYMKBEXES-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(4-(4-(aminomethyl)-1-oxo-1,2-dihydrophthalazin-6-yl)-1-methyl-1H-pyrazol-5-yl)-3-fluoro-1-naphthonitrile
CAS: 2629314-68-5
CID: 156151804
Formula: C24H17FN6O
MW: 424.4
Interactive 3D Structure
Loading 3D structure...
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Computed Properties
PropertyValue
Molecular Weight424.4
XLogP32.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass424.14478735
Monoisotopic Mass424.14478735
Topological Polar Surface Area109 Ų
Heavy Atom Count32
Formal Charge0
Complexity810
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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