Home Carboxys 5-{[(tert-butoxy)carbonyl]amino}-4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carboxylic acid

5-{[(tert-butoxy)carbonyl]amino}-4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carboxylic acid

CAS No.:
2137900-93-5
Catalog Number:
AG01EKMX
Molecular Formula:
C13H19N3O4
Molecular Weight:
281.3077
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Product Description
Catalog Number:
AG01EKMX
Chemical Name:
5-{[(tert-butoxy)carbonyl]amino}-4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carboxylic acid
CAS Number:
2137900-93-5
Molecular Formula:
C13H19N3O4
Molecular Weight:
281.3077
MDL Number:
MFCD31458231
IUPAC Name:
5-[(2-methylpropan-2-yl)oxycarbonylamino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylic acid
InChI:
InChI=1S/C13H19N3O4/c1-13(2,3)20-12(19)15-8-4-5-16-10(6-8)9(7-14-16)11(17)18/h7-8H,4-6H2,1-3H3,(H,15,19)(H,17,18)
InChI Key:
USNKTGNHTHJVML-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC1CCn2c(C1)c(cn2)C(=O)O
Properties
Complexity:
394  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.138g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
281.312g/mol
Monoisotopic Mass:
281.138g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
93.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties