Name: Name:1,3,4-trimethyl-1H-pyrazolo[3,4-b]pyridin-6-yl 4-methylbenzene-1-sulfonate
Brand: Angene
SKU: AG019KH3
Rating: 90 (10 reviews)

1,3,4-trimethyl-1H-pyrazolo[3,4-b]pyridin-6-yl 4-methylbenzene-1-sulfonate

CAS No.:

929975-55-3

Catalog Number:

AG019KH3

Molecular Formula:

C16H17N3O3S

Molecular Weight:

331.3895

Catalog Number:

AG019KH3

Chemical Name:

1,3,4-trimethyl-1H-pyrazolo[3,4-b]pyridin-6-yl 4-methylbenzene-1-sulfonate

CAS Number:

929975-55-3

Molecular Formula:

C16H17N3O3S

Molecular Weight:

331.3895

MDL Number:

MFCD09040454

IUPAC Name:

(1,3,4-trimethylpyrazolo[3,4-b]pyridin-6-yl) 4-methylbenzenesulfonate

InChI:

InChI=1S/C16H17N3O3S/c1-10-5-7-13(8-6-10)23(20,21)22-14-9-11(2)15-12(3)18-19(4)16(15)17-14/h5-9H,1-4H3

InChI Key:

MYXZTRSNEKWPPA-UHFFFAOYSA-N

SMILES:

Cc1ccc(cc1)S(=O)(=O)Oc1cc(C)c2c(n1)n(C)nc2C

Complexity:

513

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

331.099g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

331.39g/mol

Monoisotopic Mass:

331.099g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

82.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.4