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PF-04991532 100mg

CAT: 0628-A12188-100Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0628-A12188-100Size:100 mg
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CAS Number
1215197-37-7

Chemical Information

Pf-04991532

PF-04991532 has been used in trials studying the basic science of Diabetes Mellitus, Type 2 Diabetes Mellitus, Diabetes Mellitus, Type 2, and Glucose Metabolism Disorders.

CAS Number1215197-37-7
PubChem CID46181428
IUPAC Name6-[[(2S)-3-cyclopentyl-2-[4-(trifluoromethyl)imidazol-1-yl]propanoyl]amino]pyridine-3-carboxylic acid
Molecular FormulaC18H19F3N4O3
Molecular Weight396.4
XLogP3.3
Topological Polar Surface Area97.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count28
Formal Charge0
Complexity569
SMILES
C1CCC(C1)C[C@@H](C(=O)NC2=NC=C(C=C2)C(=O)O)N3C=C(N=C3)C(F)(F)F
InChI
InChI=1S/C18H19F3N4O3/c19-18(20,21)14-9-25(10-23-14)13(7-11-3-1-2-4-11)16(26)24-15-6-5-12(8-22-15)17(27)28/h5-6,8-11,13H,1-4,7H2,(H,27,28)(H,22,24,26)/t13-/m0/s1
InChIKey
GKMLFBRLRVQVJO-ZDUSSCGKSA-N
Chemical Structure
2D Structure
2D structure of Pf-04991532
CAS: 1215197-37-7
CID: 46181428
Formula: C18H19F3N4O3
MW: 396.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight396.4
XLogP33.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass396.14092497
Monoisotopic Mass396.14092497
Topological Polar Surface Area97.1 Ų
Heavy Atom Count28
Formal Charge0
Complexity569
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