Name: Name:1-(1-cyclopropylethyl)-4-methyl-1H-pyrazolo[3,4-b]pyridin-6-yl 4-methylbenzene-1-sulfonate
Brand: Angene
SKU: AG019KHC
Rating: 90 (10 reviews)

1-(1-cyclopropylethyl)-4-methyl-1H-pyrazolo[3,4-b]pyridin-6-yl 4-methylbenzene-1-sulfonate

CAS No.:

929975-64-4

Catalog Number:

AG019KHC

Molecular Formula:

C19H21N3O3S

Molecular Weight:

371.4533

Catalog Number:

AG019KHC

Chemical Name:

1-(1-cyclopropylethyl)-4-methyl-1H-pyrazolo[3,4-b]pyridin-6-yl 4-methylbenzene-1-sulfonate

CAS Number:

929975-64-4

Molecular Formula:

C19H21N3O3S

Molecular Weight:

371.4533

MDL Number:

MFCD09040464

IUPAC Name:

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

InChI:

InChI=1S/C19H21N3O3S/c1-12-4-8-16(9-5-12)26(23,24)25-18-10-13(2)17-11-20-22(19(17)21-18)14(3)15-6-7-15/h4-5,8-11,14-15H,6-7H2,1-3H3

InChI Key:

SAJHJTIVNJWMTM-UHFFFAOYSA-N

SMILES:

Cc1ccc(cc1)S(=O)(=O)Oc1cc(C)c2c(n1)n(nc2)C(C1CC1)C

Complexity:

596

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

371.13g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

371.455g/mol

Monoisotopic Mass:

371.13g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

82.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.1