Name: Name:tert-butyl 3-(4-amino-3-iodo-1H-pyrazolo[3,4-d]pyrimidin-1-yl)azetidine-1-carboxylate
Brand: Angene
SKU: AG01DGCD
Rating: 90 (10 reviews)

tert-butyl 3-(4-amino-3-iodo-1H-pyrazolo[3,4-d]pyrimidin-1-yl)azetidine-1-carboxylate

CAS No.:

461699-22-9

Catalog Number:

AG01DGCD

Molecular Formula:

C13H17IN6O2

Molecular Weight:

416.2175

Catalog Number:

AG01DGCD

Chemical Name:

tert-butyl 3-(4-amino-3-iodo-1H-pyrazolo[3,4-d]pyrimidin-1-yl)azetidine-1-carboxylate

CAS Number:

461699-22-9

Molecular Formula:

C13H17IN6O2

Molecular Weight:

416.2175

MDL Number:

MFCD31628848

IUPAC Name:

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

InChI:

InChI=1S/C13H17IN6O2/c1-13(2,3)22-12(21)19-4-7(5-19)20-11-8(9(14)18-20)10(15)16-6-17-11/h6-7H,4-5H2,1-3H3,(H2,15,16,17)

InChI Key:

FJVXFVCBMHGHCE-UHFFFAOYSA-N

SMILES:

O=C(N1CC(C1)n1nc(c2c1ncnc2N)I)OC(C)(C)C

Complexity:

439

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

416.046g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

416.223g/mol

Monoisotopic Mass:

416.046g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

99.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.2