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817640-95-2 | 6H-Pyrazolo[3,4-b]pyridin-6-one,3-cyclobutyl-4-ethyl-1,2,4,5-tetrahydro-(9CI)
CAS No: 817640-95-2 Catalog No: AG00GE12 MDL No:
Product Description
Catalog Number:
AG00GE12
Chemical Name:
6H-Pyrazolo[3,4-b]pyridin-6-one,3-cyclobutyl-4-ethyl-1,2,4,5-tetrahydro-(9CI)
CAS Number:
817640-95-2
IUPAC Name:
3-cyclobutyl-4-ethyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
InChI:
InChI=1S/C12H17N3O/c1-2-7-6-9(16)13-12-10(7)11(14-15-12)8-4-3-5-8/h7-8H,2-6H2,1H3,(H2,13,14,15,16)
InChI Key:
OUVGMHXNGOXCDD-UHFFFAOYSA-N
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.137g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
219.288g/mol
Monoisotopic Mass:
219.137g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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