C1CC2(CCC1N3C4=NC=NC(=C4C(=N3)I)N)OCCO2
CAS: 330792-61-5
Name: 1-(1,4-dioxaspiro[4.5]decan-8-yl)-3-iodopyrazolo[3,4-d]pyrimidin-4-amine
SMILES: C1CC2(CCC1N3C4=NC=NC(=C4C(=N3)I)N)OCCO2

Molecular Processing

Molecular formula
C13H16IN5O2
Molecular weight
401.21
Exact mass
401.0349
XLogP
1.87
TPSA
88.08
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
1
Heavy atoms
21
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.615
Molar refractivity
84.59

Supplementary Information

InChIKey: GNSWZAOTVNDBQM-UHFFFAOYSA-N
Synonyms
330792-61-5SCHEMBL5805110SCHEMBL29617723GNSWZAOTVNDBQM-UHFFFAOYSA-N1-(1,4-DIOXA-SPIRO[4.5]DEC-8-YL)-3-IODO-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINEDB-092550F711081-(1,4-dioxaspiro[4.5]dec-8-yl)-3-iodo-1H-pyrazolo[3,4-d]pyrimidin-4-amine1-(1,4-dioxaspiro[4.5]dec-8-yl)-3-iodo-1H-pyrazolo[3,4-d]pyrimidin-4-ylamine3-Iodo-1-(1,4-dioxaspiro[4.5]decan-8-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
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Involved in 12 reactions→

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