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WEHI-345 analog

CAT: 0926-EEC82562-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0926-EEC82562-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1354825-62-9
MDL Number
MFCD19046525
Smiles
CC1=CC=C (C=C1) C2=NN (C3=NC=NC (=C23) N) C (C) (C) CNC (=O) C4=C (C=CC=N4) C
Molecular Formula
C23H25N7O
Molecular Weight
415.49 g/mol
Controlled
No

Chemical Information

N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-3-methylpyridine-2-carboxamide
CAS Number1354825-62-9
PubChem CID56602558
IUPAC NameN-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-3-methylpyridine-2-carboxamide
Molecular FormulaC23H25N7O
Molecular Weight415.5
XLogP3
Topological Polar Surface Area112
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count31
Formal Charge0
Complexity621
SMILES
CC1=CC=C(C=C1)C2=NN(C3=NC=NC(=C23)N)C(C)(C)CNC(=O)C4=C(C=CC=N4)C
InChI
InChI=1S/C23H25N7O/c1-14-7-9-16(10-8-14)19-17-20(24)27-13-28-21(17)30(29-19)23(3,4)12-26-22(31)18-15(2)6-5-11-25-18/h5-11,13H,12H2,1-4H3,(H,26,31)(H2,24,27,28)
InChIKey
ZCZGSEXBXXYQQC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-3-methylpyridine-2-carboxamide
CAS: 1354825-62-9
CID: 56602558
Formula: C23H25N7O
MW: 415.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight415.5
XLogP33
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass415.21205845
Monoisotopic Mass415.21205845
Topological Polar Surface Area112 Ų
Heavy Atom Count31
Formal Charge0
Complexity621
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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