Name: Name:1H-Pyrazolo[3,4-b]pyridine-5-carboxylic acid,4-chloro-1-ethyl-3-methyl-, ethyl ester
Brand: Angene
SKU: AG00I7G4
Rating: 90 (10 reviews)

1H-Pyrazolo[3,4-b]pyridine-5-carboxylic acid,4-chloro-1-ethyl-3-methyl-, ethyl ester

CAS No.:

37801-47-1

Catalog Number:

AG00I7G4

Molecular Formula:

C12H14ClN3O2

Molecular Weight:

267.7115

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Product Description

Catalog Number:

AG00I7G4

Chemical Name:

1H-Pyrazolo[3,4-b]pyridine-5-carboxylic acid,4-chloro-1-ethyl-3-methyl-, ethyl ester

CAS Number:

37801-47-1

Molecular Formula:

C12H14ClN3O2

Molecular Weight:

267.7115

MDL Number:

MFCD04124526

IUPAC Name:

ethyl 4-chloro-1-ethyl-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate

InChI:

InChI=1S/C12H14ClN3O2/c1-4-16-11-9(7(3)15-16)10(13)8(6-14-11)12(17)18-5-2/h6H,4-5H2,1-3H3

InChI Key:

FGEWDVKPONESEB-UHFFFAOYSA-N

SMILES:

CCOC(=O)c1cnc2c(c1Cl)c(C)nn2CC

Properties

Complexity:

316

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

267.077g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

267.713g/mol

Monoisotopic Mass:

267.077g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

57A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4

Literature

Title	Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

Properties