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GW788388 5mg

CAT: 0628-A11083-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0628-A11083-5Size:5 mg
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CAS Number
452342-67-5

Chemical Information

4-(4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridin-2-yl)-N-(tetrahydro-2H-pyran-4-yl)benzamide

a TGF type I receptor antagonist; structure in first source

CAS Number452342-67-5
PubChem CID10202642
IUPAC NameN-(oxan-4-yl)-4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]benzamide
Molecular FormulaC25H23N5O2
Molecular Weight425.5
XLogP2.7
Topological Polar Surface Area92.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count32
Formal Charge0
Complexity605
SMILES
C1COCCC1NC(=O)C2=CC=C(C=C2)C3=NC=CC(=C3)C4=C(NN=C4)C5=CC=CC=N5
InChI
InChI=1S/C25H23N5O2/c31-25(29-20-9-13-32-14-10-20)18-6-4-17(5-7-18)23-15-19(8-12-27-23)21-16-28-30-24(21)22-3-1-2-11-26-22/h1-8,11-12,15-16,20H,9-10,13-14H2,(H,28,30)(H,29,31)
InChIKey
SAGZIBJAQGBRQA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridin-2-yl)-N-(tetrahydro-2H-pyran-4-yl)benzamide
CAS: 452342-67-5
CID: 10202642
Formula: C25H23N5O2
MW: 425.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight425.5
XLogP32.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass425.18517499
Monoisotopic Mass425.18517499
Topological Polar Surface Area92.8 Ų
Heavy Atom Count32
Formal Charge0
Complexity605
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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