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1616415-37-2 | 1-Piperazinecarboxylic acid, 4-(6-amino-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-3-methyl-, 1,1-dimethylethyl ester, (3S)-
CAS No: 1616415-37-2 Catalog No: AG001VR1 MDL No:
Product Description
Catalog Number:
AG001VR1
Chemical Name:
1-Piperazinecarboxylic acid, 4-(6-amino-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-3-methyl-, 1,1-dimethylethyl ester, (3S)-
CAS Number:
1616415-37-2
Molecular Formula:
C16H25N7O2
Molecular Weight:
347.4154
IUPAC Name:
tert-butyl (3S)-4-(6-amino-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-3-methylpiperazine-1-carboxylate
InChI:
InChI=1S/C16H25N7O2/c1-10-9-22(15(24)25-16(2,3)4)6-7-23(10)13-11-8-18-21(5)12(11)19-14(17)20-13/h8,10H,6-7,9H2,1-5H3,(H2,17,19,20)/t10-/m0/s1
InChI Key:
RVKJSBIDWWQUBZ-JTQLQIEISA-N
SMILES:
C[C@H]1CN(CCN1c1nc(N)nc2c1cnn2C)C(=O)OC(C)(C)C
Properties
Complexity:
497
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
347.207g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
347.423g/mol
Monoisotopic Mass:
347.207g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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