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3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

CAS: 330786-24-8

Formula: C17H13N5O

SMILES: NC1=C2C(NN=C2C2=CC=C(OC3=CC=CC=C3)C=C2)=NC=N1

IUPAC: 3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

InChI: InChI=1S/C17H13N5O/c18-16-14-15(21-22-17(14)20-10-19-16)11-6-8-13(9-7-11)23-12-4-2-1-3-5-12/h1-10H,(H3,18,19,20,21,22)

Composition: C (67.32%), H (4.32%), N (23.09%), O (5.27%)

Molar Mass: 303.325

Atom Count: 36

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 303.112010059
Formal Charge 0
FSP3 0
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey YYVUOZULIDAKRN-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 88.71
Topological Polar Surface Area 89.71
Polarizability 34.63
Ring Count 4
Rotatable Bond Count 3

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