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PF-06250112 25mg

CAT: 0628-A18612-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0628-A18612-25Size:25 mg
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CAS Number
1609465-89-5

Chemical Information

5-amino-1-[(3S)-1-cyanopiperidin-3-yl]-3-[4-(2,4-difluorophenoxy)phenyl]pyrazole-4-carboxamide
CAS Number1609465-89-5
PubChem CID90118673
IUPAC Name5-amino-1-[(3S)-1-cyanopiperidin-3-yl]-3-[4-(2,4-difluorophenoxy)phenyl]pyrazole-4-carboxamide
Molecular FormulaC22H20F2N6O2
Molecular Weight438.4
XLogP3.5
Topological Polar Surface Area123
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count32
Formal Charge0
Complexity712
SMILES
C1C[C@@H](CN(C1)C#N)N2C(=C(C(=N2)C3=CC=C(C=C3)OC4=C(C=C(C=C4)F)F)C(=O)N)N
InChI
InChI=1S/C22H20F2N6O2/c23-14-5-8-18(17(24)10-14)32-16-6-3-13(4-7-16)20-19(22(27)31)21(26)30(28-20)15-2-1-9-29(11-15)12-25/h3-8,10,15H,1-2,9,11,26H2,(H2,27,31)/t15-/m0/s1
InChIKey
SQFDBQCBXUWICP-HNNXBMFYSA-N
Chemical Structure
2D Structure
2D structure of 5-amino-1-[(3S)-1-cyanopiperidin-3-yl]-3-[4-(2,4-difluorophenoxy)phenyl]pyrazole-4-carboxamide
CAS: 1609465-89-5
CID: 90118673
Formula: C22H20F2N6O2
MW: 438.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight438.4
XLogP33.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass438.16158023
Monoisotopic Mass438.16158023
Topological Polar Surface Area123 Ų
Heavy Atom Count32
Formal Charge0
Complexity712
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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