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175202-33-2 | 1H-Pyrazolo[3,4-b]pyridine-5-carboxylic acid, 1,3-dimethyl-4-[(1-methylethyl)thio]-
CAS No: 175202-33-2 Catalog No: AG0020GG MDL No:
Product Description
Catalog Number:
AG0020GG
Chemical Name:
1H-Pyrazolo[3,4-b]pyridine-5-carboxylic acid, 1,3-dimethyl-4-[(1-methylethyl)thio]-
CAS Number:
175202-33-2
Molecular Formula:
C12H15N3O2S
Molecular Weight:
265.3314
IUPAC Name:
1,3-dimethyl-4-propan-2-ylsulfanylpyrazolo[3,4-b]pyridine-5-carboxylic acid
InChI:
InChI=1S/C12H15N3O2S/c1-6(2)18-10-8(12(16)17)5-13-11-9(10)7(3)14-15(11)4/h5-6H,1-4H3,(H,16,17)
InChI Key:
DILQJRLBSNTBOX-UHFFFAOYSA-N
SMILES:
CC(Sc1c(cnc2c1c(C)nn2C)C(=O)O)C
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.088g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
265.331g/mol
Monoisotopic Mass:
265.088g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
93.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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