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BMS-281384

CAT: 0931-T26847-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T26847-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
261769-44-2
Target
Others
Related Pathways
Others
Bioactivity
BMS-281384 is a highly potent, phosphodiesterase 5 (PDE 5) -selective inhibitor.
Smiles
N(CC1=CC(Cl)=C(OC)C=C1)C2=C3C(N(CC)N=C3)=NC=C2C(NCC=4C=CN=CC4)=O
Molecular Formula
C23H23ClN6O2
Molecular Weight
450.92
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4-[[(3-Chloro-4-methoxyphenyl)methyl]amino]-1-ethyl-n-(4-pyridinylmethyl)-1h-pyrazolo[3,4-b]pyridine-5-carboxamide
CAS Number261769-44-2
PubChem CID9933503
IUPAC Name4-[(3-chloro-4-methoxyphenyl)methylamino]-1-ethyl-N-(pyridin-4-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
Molecular FormulaC23H23ClN6O2
Molecular Weight450.9
XLogP3.5
Topological Polar Surface Area94
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count32
Formal Charge0
Complexity607
SMILES
CCN1C2=NC=C(C(=C2C=N1)NCC3=CC(=C(C=C3)OC)Cl)C(=O)NCC4=CC=NC=C4
InChI
InChI=1S/C23H23ClN6O2/c1-3-30-22-17(14-29-30)21(26-12-16-4-5-20(32-2)19(24)10-16)18(13-27-22)23(31)28-11-15-6-8-25-9-7-15/h4-10,13-14H,3,11-12H2,1-2H3,(H,26,27)(H,28,31)
InChIKey
NJAQIMZSDVLFQH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-[[(3-Chloro-4-methoxyphenyl)methyl]amino]-1-ethyl-n-(4-pyridinylmethyl)-1h-pyrazolo[3,4-b]pyridine-5-carboxamide
CAS: 261769-44-2
CID: 9933503
Formula: C23H23ClN6O2
MW: 450.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight450.9
XLogP33.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass450.1571017
Monoisotopic Mass450.1571017
Topological Polar Surface Area94 Ų
Heavy Atom Count32
Formal Charge0
Complexity607
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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