Name: Name:(3R)-1-Boc-3-(4-amino-3-iodo-1h-pyrazolo[3,4-d]pyrimidin-1-yl)piperidine
Brand: Angene
SKU: AG000X7Y
Rating: 90 (10 reviews)

(3R)-1-Boc-3-(4-amino-3-iodo-1h-pyrazolo[3,4-d]pyrimidin-1-yl)piperidine

CAS No.:

1276110-38-3

Catalog Number:

AG000X7Y

Molecular Formula:

C15H21IN6O2

Molecular Weight:

444.2707

Catalog Number:

AG000X7Y

Chemical Name:

(3R)-1-Boc-3-(4-amino-3-iodo-1h-pyrazolo[3,4-d]pyrimidin-1-yl)piperidine

CAS Number:

1276110-38-3

Molecular Formula:

C15H21IN6O2

Molecular Weight:

444.2707

MDL Number:

MFCD27987084

IUPAC Name:

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

InChI:

InChI=1S/C15H21IN6O2/c1-15(2,3)24-14(23)21-6-4-5-9(7-21)22-13-10(11(16)20-22)12(17)18-8-19-13/h8-9H,4-7H2,1-3H3,(H2,17,18,19)/t9-/m1/s1

InChI Key:

YQXAEBHPCJZKKX-SECBINFHSA-N

SMILES:

O=C(N1CCC[C@H](C1)n1nc(c2c1ncnc2N)I)OC(C)(C)C

Complexity:

473

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

444.077g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

444.277g/mol

Monoisotopic Mass:

444.077g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

99.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9