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PF-06751979 10mg

CAT: 0628-A20066-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0628-A20066-10Size:10 mg
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CAS Number
1818339-66-0

Chemical Information

Pf-06751979

PF-06751979 is under investigation in clinical trial NCT03126721 (The Study is to Evaluate the Effect of Multiple Doses PF-06751979 on the Pharmacokinetics of Midazolam in Healthy Adults).

CAS Number1818339-66-0
PubChem CID118435360
IUPAC NameN-[2-[(4aR,6S,8aR)-2-amino-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide
Molecular FormulaC18H19F2N5O3S2
Molecular Weight455.5
XLogP2.4
Topological Polar Surface Area165
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity676
SMILES
C[C@H]1C[C@H]2CSC(=N[C@]2(CO1)C3=NC(=CS3)NC(=O)C4=NC=C(C=C4)OC(F)F)N
InChI
InChI=1S/C18H19F2N5O3S2/c1-9-4-10-6-30-17(21)25-18(10,8-27-9)15-24-13(7-29-15)23-14(26)12-3-2-11(5-22-12)28-16(19)20/h2-3,5,7,9-10,16H,4,6,8H2,1H3,(H2,21,25)(H,23,26)/t9-,10-,18-/m0/s1
InChIKey
ZLZUHACSRMOLLV-RAALSFIWSA-N
Chemical Structure
2D Structure
2D structure of Pf-06751979
CAS: 1818339-66-0
CID: 118435360
Formula: C18H19F2N5O3S2
MW: 455.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight455.5
XLogP32.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Exact Mass455.08973816
Monoisotopic Mass455.08973816
Topological Polar Surface Area165 Ų
Heavy Atom Count30
Formal Charge0
Complexity676
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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