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Pamapimod-d4

CAT: 0926-WZB81457-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0926-WZB81457-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1246814-57-2
Smiles
CN1C2=NC (=NC=C2C=C (C1=O) OC3=C (C=C (C=C3) F) F) NC (CCO) CCO
Molecular Formula
C19H20F2N4O4
Molecular Weight
410.4 g/mol
Controlled
No

Chemical Information

Pamapimod-d4
CAS Number1246814-57-2
PubChem CID71751456
IUPAC Name6-(2,4-difluorophenoxy)-8-methyl-2-[(1,1,5,5-tetradeuterio-1,5-dihydroxypentan-3-yl)amino]pyrido[2,3-d]pyrimidin-7-one
Molecular FormulaC19H20F2N4O4
Molecular Weight410.4
XLogP2.4
Topological Polar Surface Area108
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Heavy Atom Count29
Formal Charge0
Complexity591
SMILES
[2H]C([2H])(CC(CC([2H])([2H])O)NC1=NC=C2C=C(C(=O)N(C2=N1)C)OC3=C(C=C(C=C3)F)F)O
InChI
InChI=1S/C19H20F2N4O4/c1-25-17-11(10-22-19(24-17)23-13(4-6-26)5-7-27)8-16(18(25)28)29-15-3-2-12(20)9-14(15)21/h2-3,8-10,13,26-27H,4-7H2,1H3,(H,22,23,24)/i6D2,7D2
InChIKey
JYYLVUFNAHSSFE-KXGHAPEVSA-N
Chemical Structure
2D Structure
2D structure of Pamapimod-d4
CAS: 1246814-57-2
CID: 71751456
Formula: C19H20F2N4O4
MW: 410.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight410.4
XLogP32.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Exact Mass410.17036844
Monoisotopic Mass410.17036844
Topological Polar Surface Area108 Ų
Heavy Atom Count29
Formal Charge0
Complexity591
Isotope Atom Count4
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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