BAY-41-8543

CAT: 0024-sc-291927Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-291927Size:1 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

256498-66-5

Chemical Information

Bay-41-8543

BAY-41-8543 is a pyrazolopyridine.

CAS Number	256498-66-5
PubChem CID	9953906
IUPAC Name	2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-morpholin-4-ylpyrimidine-4,6-diamine
Molecular Formula	C21H21FN8O
Molecular Weight	420.4
XLogP	1.6
Topological Polar Surface Area	121
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	4
Heavy Atom Count	31
Formal Charge	0
Complexity	584

SMILES

C1COCCN1C2=C(N=C(N=C2N)C3=NN(C4=C3C=CC=N4)CC5=CC=CC=C5F)N

InChI

InChI=1S/C21H21FN8O/c22-15-6-2-1-4-13(15)12-30-21-14(5-3-7-25-21)16(28-30)20-26-18(23)17(19(24)27-20)29-8-10-31-11-9-29/h1-7H,8-12H2,(H4,23,24,26,27)

InChIKey

AQYFUZRYBJBAGZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 256498-66-5

CID: 9953906

Formula: C21H21FN8O

MW: 420.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	420.4
XLogP3	1.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	4
Exact Mass	420.18223549
Monoisotopic Mass	420.18223549
Topological Polar Surface Area	121 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	584
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes