Name: Name:6-methyl-1-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid
Brand: Angene
SKU: AG00IESJ
Rating: 90 (10 reviews)

6-methyl-1-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid

CAS No.:

878218-58-7

Catalog Number:

AG00IESJ

Molecular Formula:

C11H13N3O2

Molecular Weight:

219.2398

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Purity

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Product Description

Catalog Number:

AG00IESJ

Chemical Name:

6-methyl-1-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid

CAS Number:

878218-58-7

Molecular Formula:

C11H13N3O2

Molecular Weight:

219.2398

MDL Number:

MFCD08239636

IUPAC Name:

6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylic acid

InChI:

InChI=1S/C11H13N3O2/c1-6(2)14-10-8(5-12-14)4-9(11(15)16)7(3)13-10/h4-6H,1-3H3,(H,15,16)

InChI Key:

PRHJJQGNCUDYOZ-UHFFFAOYSA-N

SMILES:

OC(=O)c1cc2cnn(c2nc1C)C(C)C

Properties

Complexity:

282

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

219.101g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

219.244g/mol

Monoisotopic Mass:

219.101g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

68A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.5

Literature

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