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BAY 41-2272 10mg

CAT: 0628-A15891-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0628-A15891-10Size:10 mg
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CAS Number
256376-24-6

Chemical Information

5-Cyclopropyl-2-(1-((2-fluorophenyl)methyl)-1H-pyrazolo(3,4-b)pyridin-3-yl)-4-pyrimidinamine

BAY 41-2272 is a pyrazolopyridine that is 1H-pyrazolo[3,4-b]pyridine which is substituted by a 2-fluorobenzyl group at position 1 and by a 4-amino-5-cyclopropylpyrimidin-2-yl group at position 3. It is an activator of soluble guanylate cyclase. It has a role as a vasodilator agent, an antihypertensive agent, a platelet aggregation inhibitor and a soluble guanylate cyclase activator. It is an aminopyrimidine, a pyrazolopyridine, a member of cyclopropanes and a member of monofluorobenzenes.

CAS Number256376-24-6
PubChem CID9798973
IUPAC Name5-cyclopropyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-4-amine
Molecular FormulaC20H17FN6
Molecular Weight360.4
XLogP3.1
Topological Polar Surface Area82.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count27
Formal Charge0
Complexity517
SMILES
C1CC1C2=CN=C(N=C2N)C3=NN(C4=C3C=CC=N4)CC5=CC=CC=C5F
InChI
InChI=1S/C20H17FN6/c21-16-6-2-1-4-13(16)11-27-20-14(5-3-9-23-20)17(26-27)19-24-10-15(12-7-8-12)18(22)25-19/h1-6,9-10,12H,7-8,11H2,(H2,22,24,25)
InChIKey
ATOAHNRJAXSBOR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Cyclopropyl-2-(1-((2-fluorophenyl)methyl)-1H-pyrazolo(3,4-b)pyridin-3-yl)-4-pyrimidinamine
CAS: 256376-24-6
CID: 9798973
Formula: C20H17FN6
MW: 360.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight360.4
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass360.14987273
Monoisotopic Mass360.14987273
Topological Polar Surface Area82.5 Ų
Heavy Atom Count27
Formal Charge0
Complexity517
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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