Name: Name:6-cyclopropyl-1-(1,1-dioxidotetrahydrothien-3-yl)-3-methyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
Brand: Angene
SKU: AG00J97P
Rating: 90 (10 reviews)

6-cyclopropyl-1-(1,1-dioxidotetrahydrothien-3-yl)-3-methyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid

CAS No.:

851721-88-5

Catalog Number:

AG00J97P

Molecular Formula:

C15H17N3O4S

Molecular Weight:

335.3782

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Product Description

Catalog Number:

AG00J97P

Chemical Name:

6-cyclopropyl-1-(1,1-dioxidotetrahydrothien-3-yl)-3-methyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid

CAS Number:

851721-88-5

Molecular Formula:

C15H17N3O4S

Molecular Weight:

335.3782

MDL Number:

MFCD06382834

IUPAC Name:

6-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-3-methylpyrazolo[3,4-b]pyridine-4-carboxylic acid

InChI:

InChI=1S/C15H17N3O4S/c1-8-13-11(15(19)20)6-12(9-2-3-9)16-14(13)18(17-8)10-4-5-23(21,22)7-10/h6,9-10H,2-5,7H2,1H3,(H,19,20)

InChI Key:

GENJQCQDMUDBOT-UHFFFAOYSA-N

SMILES:

OC(=O)c1cc(nc2c1c(C)nn2C1CCS(=O)(=O)C1)C1CC1

Properties

Complexity:

600

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

335.094g/mol

Formal Charge:

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Molecular Weight:

335.378g/mol

Monoisotopic Mass:

335.094g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

111A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.8

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101

Properties