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PF-06424439 100mg

CAT: 0628-A12608-100Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0628-A12608-100Size:100 mg
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CAS Number
1469284-78-3

Chemical Information

[(3R)-1-[2-[1-(4-chloropyrazol-1-yl)cyclopropyl]-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CAS Number1469284-78-3
PubChem CID71766156
IUPAC Name[(3R)-1-[2-[1-(4-chloropyrazol-1-yl)cyclopropyl]-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
Molecular FormulaC22H26ClN7O
Molecular Weight439.9
XLogP2.6
Topological Polar Surface Area82.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count31
Formal Charge0
Complexity685
SMILES
C1CCN(C1)C(=O)[C@@H]2CCCN(C2)C3=NC4=C(C=C3)NC(=N4)C5(CC5)N6C=C(C=N6)Cl
InChI
InChI=1S/C22H26ClN7O/c23-16-12-24-30(14-16)22(7-8-22)21-25-17-5-6-18(26-19(17)27-21)29-11-3-4-15(13-29)20(31)28-9-1-2-10-28/h5-6,12,14-15H,1-4,7-11,13H2,(H,25,26,27)/t15-/m1/s1
InChIKey
PZHNKPBYOPQTRG-OAHLLOKOSA-N
Chemical Structure
2D Structure
2D structure of [(3R)-1-[2-[1-(4-chloropyrazol-1-yl)cyclopropyl]-1H-imidazo[4,5-b]pyridin-5-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CAS: 1469284-78-3
CID: 71766156
Formula: C22H26ClN7O
MW: 439.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight439.9
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass439.1887362
Monoisotopic Mass439.1887362
Topological Polar Surface Area82.9 Ų
Heavy Atom Count31
Formal Charge0
Complexity685
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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Alternative Products

CatalogName
HY-108341-01PF-06424439
UIC28479-01PF 06424439
C8589-5PF-06424439 methanesulfonate
HY-108341A-01PF-06424439 (methanesulfonate)

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