Home Carboxys 4-{[(tert-butoxy)carbonyl]amino}-4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-2-carboxylic acid

4-{[(tert-butoxy)carbonyl]amino}-4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-2-carboxylic acid

CAS No.:
2137610-37-6
Catalog Number:
AG01EKOX
Molecular Formula:
C13H19N3O4
Molecular Weight:
281.3077
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Product Description
Catalog Number:
AG01EKOX
Chemical Name:
4-{[(tert-butoxy)carbonyl]amino}-4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-2-carboxylic acid
CAS Number:
2137610-37-6
Molecular Formula:
C13H19N3O4
Molecular Weight:
281.3077
MDL Number:
MFCD31428818
IUPAC Name:
4-[(2-methylpropan-2-yl)oxycarbonylamino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylic acid
InChI:
InChI=1S/C13H19N3O4/c1-13(2,3)20-12(19)14-8-5-4-6-16-10(8)7-9(15-16)11(17)18/h7-8H,4-6H2,1-3H3,(H,14,19)(H,17,18)
InChI Key:
UDHSHSZXVRRFBW-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC1CCCn2c1cc(n2)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:
1.1  
Properties