Name: Name:1-Piperazinecarboxylic acid, 4-(6-amino-1,3-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-3-methyl-, 1,1-dimethylethyl ester, (3S)-
Brand: Angene
SKU: AG001VR0
Rating: 90 (10 reviews)

1-Piperazinecarboxylic acid, 4-(6-amino-1,3-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-3-methyl-, 1,1-dimethylethyl ester, (3S)-

CAS No.:

1616415-40-7

Catalog Number:

AG001VR0

Molecular Formula:

C17H27N7O2

Molecular Weight:

361.4420

Catalog Number:

AG001VR0

Chemical Name:

1-Piperazinecarboxylic acid, 4-(6-amino-1,3-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-3-methyl-, 1,1-dimethylethyl ester, (3S)-

CAS Number:

1616415-40-7

Molecular Formula:

C17H27N7O2

Molecular Weight:

361.4420

MDL Number:

MFCD30475784

IUPAC Name:

tert-butyl (3S)-4-(6-amino-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)-3-methylpiperazine-1-carboxylate

InChI:

InChI=1S/C17H27N7O2/c1-10-9-23(16(25)26-17(3,4)5)7-8-24(10)14-12-11(2)21-22(6)13(12)19-15(18)20-14/h10H,7-9H2,1-6H3,(H2,18,19,20)/t10-/m0/s1

InChI Key:

GSZCWZVSAVPVOW-JTQLQIEISA-N

SMILES:

C[C@H]1CN(CCN1c1nc(N)nc2c1c(C)nn2C)C(=O)OC(C)(C)C

Complexity:

526

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

361.223g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

361.45g/mol

Monoisotopic Mass:

361.223g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

102A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.8