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Home > Pyridines > 937598-28-2
937598-28-2 | 4-BUTYL-5-(6-CYCLOPROPYL-1,3-DIMETHYL-1H-PYRAZOLO[3,4-B]PYRIDIN-4-YL)-4H-+
CAS No: 937598-28-2 Catalog No: AG01AO6X MDL No:MFCD08553262
Product Description
Catalog Number:
AG01AO6X
Chemical Name:
4-BUTYL-5-(6-CYCLOPROPYL-1,3-DIMETHYL-1H-PYRAZOLO[3,4-B]PYRIDIN-4-YL)-4H-+
CAS Number:
937598-28-2
Molecular Formula:
C17H22N6S
Molecular Weight:
342.4618
MDL Number:
MFCD08553262
IUPAC Name:
4-butyl-3-(6-cyclopropyl-1,3-dimethylpyrazolo[3,4-b]pyridin-4-yl)-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C17H22N6S/c1-4-5-8-23-15(19-20-17(23)24)12-9-13(11-6-7-11)18-16-14(12)10(2)21-22(16)3/h9,11H,4-8H2,1-3H3,(H,20,24)
InChI Key:
MXKYIAUSMVWXKV-UHFFFAOYSA-N
SMILES:
CCCCn1c(S)nnc1c1cc(nc2c1c(C)nn2C)C1CC1
Properties
Complexity:
533
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.163g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
342.465g/mol
Monoisotopic Mass:
342.163g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
90.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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