Name: Name:4-methyl-1-(2-methylpropyl)-1H-pyrazolo[3,4-b]pyridin-6-yl 4-methylbenzene-1-sulfonate
Brand: Angene
SKU: AG019KH4
Rating: 90 (10 reviews)

4-methyl-1-(2-methylpropyl)-1H-pyrazolo[3,4-b]pyridin-6-yl 4-methylbenzene-1-sulfonate

CAS No.:

929975-56-4

Catalog Number:

AG019KH4

Molecular Formula:

C18H21N3O3S

Molecular Weight:

359.4426

Catalog Number:

AG019KH4

Chemical Name:

4-methyl-1-(2-methylpropyl)-1H-pyrazolo[3,4-b]pyridin-6-yl 4-methylbenzene-1-sulfonate

CAS Number:

929975-56-4

Molecular Formula:

C18H21N3O3S

Molecular Weight:

359.4426

MDL Number:

MFCD09040455

IUPAC Name:

[4-methyl-1-(2-methylpropyl)pyrazolo[3,4-b]pyridin-6-yl] 4-methylbenzenesulfonate

InChI:

InChI=1S/C18H21N3O3S/c1-12(2)11-21-18-16(10-19-21)14(4)9-17(20-18)24-25(22,23)15-7-5-13(3)6-8-15/h5-10,12H,11H2,1-4H3

InChI Key:

HRCJNECMGQKSRI-UHFFFAOYSA-N

SMILES:

CC(Cn1ncc2c1nc(cc2C)OS(=O)(=O)c1ccc(cc1)C)C

Complexity:

540

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

359.13g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

359.444g/mol

Monoisotopic Mass:

359.13g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

82.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.3