Name: Name:1-Piperidinecarboxylic acid, 3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-, 1,1-dimethylethyl ester, (3R)-
Brand: Angene
SKU: AG0006XQ
Rating: 90 (10 reviews)

1-Piperidinecarboxylic acid, 3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-, 1,1-dimethylethyl ester, (3R)-

CAS No.:

1022150-11-3

Catalog Number:

AG0006XQ

Molecular Formula:

C27H30N6O3

Molecular Weight:

486.5655

Catalog Number:

AG0006XQ

Chemical Name:

1-Piperidinecarboxylic acid, 3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-, 1,1-dimethylethyl ester, (3R)-

CAS Number:

1022150-11-3

Molecular Formula:

C27H30N6O3

Molecular Weight:

486.5655

MDL Number:

MFCD28167899

IUPAC Name:

tert-butyl (3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate

InChI:

InChI=1S/C27H30N6O3/c1-27(2,3)36-26(34)32-15-7-8-19(16-32)33-25-22(24(28)29-17-30-25)23(31-33)18-11-13-21(14-12-18)35-20-9-5-4-6-10-20/h4-6,9-14,17,19H,7-8,15-16H2,1-3H3,(H2,28,29,30)/t19-/m1/s1

InChI Key:

NTSAEGNFPKKRLX-LJQANCHMSA-N

SMILES:

O=C(N1CCC[C@H](C1)n1nc(c2c1ncnc2N)c1ccc(cc1)Oc1ccccc1)OC(C)(C)C

Complexity:

734

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

486.238g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

486.576g/mol

Monoisotopic Mass:

486.238g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

108A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.4