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PF-06459988 25mg

CAT: 0628-A20608-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0628-A20608-25Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1428774-45-1

Chemical Information

Pf-06459988

PF-06459988 is under investigation in clinical trial NCT02297425 (A Study For Patients With EGFRm (Epidermal Growth Factor Receptor Mutant) Lung Cancer).

CAS Number1428774-45-1
PubChem CID71535003
IUPAC Name1-[(3R,4R)-3-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxymethyl]-4-methoxypyrrolidin-1-yl]prop-2-en-1-one
Molecular FormulaC19H22ClN7O3
Molecular Weight431.9
XLogP1.8
Topological Polar Surface Area110
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count30
Formal Charge0
Complexity629
SMILES
CN1C=C(C=N1)NC2=NC3=C(C(=CN3)Cl)C(=N2)OC[C@H]4CN(C[C@@H]4OC)C(=O)C=C
InChI
InChI=1S/C19H22ClN7O3/c1-4-15(28)27-7-11(14(9-27)29-3)10-30-18-16-13(20)6-21-17(16)24-19(25-18)23-12-5-22-26(2)8-12/h4-6,8,11,14H,1,7,9-10H2,2-3H3,(H2,21,23,24,25)/t11-,14+/m1/s1
InChIKey
ODMXWZROLKITMS-RISCZKNCSA-N
Chemical Structure
2D Structure
2D structure of Pf-06459988
CAS: 1428774-45-1
CID: 71535003
Formula: C19H22ClN7O3
MW: 431.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight431.9
XLogP31.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass431.1472653
Monoisotopic Mass431.1472653
Topological Polar Surface Area110 Ų
Heavy Atom Count30
Formal Charge0
Complexity629
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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