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Pimicotinib hydrochloride

CAT: 0931-T204920-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T204920-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2866305-19-1
Target
C-Fms, PDGFR, c-Kit
Related Pathways
Angiogenesis, Tyrosine Kinase/Adaptors
Bioactivity
Pimicotinib hydrochloride is an inhibitor of CSF1R, displaying antitumor activity.
Smiles
Cl.O=C(NC=1N=C(C(OC2=CC=NC(=C2)C=3C=NN(C3)C)=CC1)C)N4C(=O)C(C)(C)CC4
Molecular Formula
C22H25ClN6O3
Molecular Weight
456.925
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Pimicotinib (hydrochloride)
CAS Number2866305-19-1
PubChem CID169490866
IUPAC Name3,3-dimethyl-N-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-oxopyrrolidine-1-carboxamide;hydrochloride
Molecular FormulaC22H25ClN6O3
Molecular Weight456.9
Topological Polar Surface Area102
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count32
Formal Charge0
Complexity674
SMILES
CC1=C(C=CC(=N1)NC(=O)N2CCC(C2=O)(C)C)OC3=CC(=NC=C3)C4=CN(N=C4)C.Cl
InChI
InChI=1S/C22H24N6O3.ClH/c1-14-18(31-16-7-9-23-17(11-16)15-12-24-27(4)13-15)5-6-19(25-14)26-21(30)28-10-8-22(2,3)20(28)29;/h5-7,9,11-13H,8,10H2,1-4H3,(H,25,26,30);1H
InChIKey
MPMZGHSAPDUNNE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pimicotinib (hydrochloride)
CAS: 2866305-19-1
CID: 169490866
Formula: C22H25ClN6O3
MW: 456.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight456.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass456.1676664
Monoisotopic Mass456.1676664
Topological Polar Surface Area102 Ų
Heavy Atom Count32
Formal Charge0
Complexity674
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes