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1015609-59-2,MFCD09859117
Catalog No.:AA0004PF
1015609-59-2 | tert-Butyl 4-(1h-pyrrolo[3,2-b]pyridin-6-yl)piperazine-1-carboxylate
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100mg
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$275.00   $193.00
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Technical Information
Catalog Number:
AA0004PF
Chemical Name:
tert-Butyl 4-(1h-pyrrolo[3,2-b]pyridin-6-yl)piperazine-1-carboxylate
CAS Number:
1015609-59-2
Molecular Formula:
C16H22N4O2
Molecular Weight:
302.3715
MDL Number:
MFCD09859117
IUPAC Name:
tert-butyl 4-(1H-pyrrolo[3,2-b]pyridin-6-yl)piperazine-1-carboxylate
InChI:
InChI=1S/C16H22N4O2/c1-16(2,3)22-15(21)20-8-6-19(7-9-20)12-10-14-13(18-11-12)4-5-17-14/h4-5,10-11,17H,6-9H2,1-3H3
InChI Key:
IYRPLSBYGVIJGG-UHFFFAOYSA-N
SMILES:
O=C(N1CCN(CC1)c1cnc2c(c1)[nH]cc2)OC(C)(C)C
Properties
Computed Properties
 
Complexity:
401  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.174g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
302.378g/mol
Monoisotopic Mass:
302.174g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
61.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  

Synonyms
 
1015609-59-2 
tert-Butyl 4-(1H-pyrrolo[3,2-b]pyridin-6-yl)piperazine-1-carboxylate 
AKOS015854497 
AJ-64813 
DB-029497 
TR-049720 
FT-0739879 
A-5833 
1-Piperazinecarboxylic acid, 4-(1H-pyrrolo[3,2-b]pyridin-6-yl)-, 1,1-dimethylethyl ester 
tert-Butyl 4-(1H-pyrrolo[3,2-b]pyridin-6-yl)piperazine-1-carboxylate, AldrichCPR 
C16H22N4O2 
tert-Butyl 4-(1H-pyrrolo[3,2-b]pyridin-6-yl)-piperazine-1-carboxylate 
tert-butyl 4-{1H-pyrrolo[3,2-b]pyridin-6-yl}piperazine-1-carboxylate 
AC1Q1N6D 
CTK3J9899 
DTXSID90640156 
7370AC 
MFCD09859117 
ZINC14401117 
Literature
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