1-[3-(4-Aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-(2-fluorophenyl)propan-2-one;1-[4-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]imidazol-1-yl]ethanone;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-methylhexan-2-one;2-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-thiophen-2-ylethanone;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-thiophen-3-ylpropan-2-one;1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine

C100H86ClFN32O5S2 — CID 157506457

IUPAC1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-(2-fluorophenyl)propan-2-one;1-[4-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]imidazol-1-yl]ethanone;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-methylhexan-2-one;2-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-thiophen-2-ylethanone;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-thiophen-3-ylpropan-2-one;1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCC(C)CC(=O)CC1=CC(=CC=C1)N2C3=NC=NC(=C3C=N2)N.CC(=O)N1C=C(N=C1)C2=CC(=CC=C2)N3C4=NC=NC(=C4C=N3)N.C1=CC=C(C(=C1)CC(=O)CC2=CC(=CC=C2)N3C4=NC=NC(=C4C=N3)N)F.C1=CC(=CC(=C1)N2C3=NC=NC(=C3C=N2)N)CC(=O)CC4=CSC=C4.C1=CC(=CC(=C1)N2C3=NC=NC(=C3C=N2)N)CC(=O)C4=CC=CS4.C1=CC(=CC(=C1)Cl)N2C3=NC=NC(=C3C=N2)N
InChIInChI=1S/C20H16FN5O.C18H15N5OS.C18H21N5O.C17H13N5OS.C16H13N7O.C11H8ClN5/c21-18-7-2-1-5-14(18)10-16(27)9-13-4-3-6-15(8-13)26-20-17(11-25-26)19(22)23-12-24-20;19-17-16-9-22-23(18(16)21-11-20-17)14-3-1-2-12(6-14)7-15(24)8-13-4-5-25-10-13;1-3-12(2)7-15(24)9-13-5-4-6-14(8-13)23-18-16(10-22-23)17(19)20-11-21-18;18-16-13-9-21-22(17(13)20-10-19-16)12-4-1-3-11(7-12)8-14(23)15-5-2-6-24-15;1-10(24)22-7-14(20-9-22)11-3-2-4-12(5-11)23-16-13(6-21-23)15(17)18-8-19-16;12-7-2-1-3-8(4-7)17-11-9(5-16-17)10(13)14-6-15-11/h1-8,11-12H,9-10H2,(H2,22,23,24);1-6,9-11H,7-8H2,(H2,19,20,21);4-6,8,10-12H,3,7,9H2,1-2H3,(H2,19,20,21);1-7,9-10H,8H2,(H2,18,19,20);2-9H,1H3,(H2,17,18,19);1-6H,(H2,13,14,15)
InChIKeyBZADIQCJUREZDE-UHFFFAOYSA-N
MW1934.50 g/mol
LogP—
Rot. Bonds23

About 1-[3-(4-Aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-(2-fluorophenyl)propan-2-one;1-[4-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]imidazol-1-yl]ethanone;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-methylhexan-2-one;2-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-thiophen-2-ylethanone;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-thiophen-3-ylpropan-2-one;1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine

1-[3-(4-Aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-(2-fluorophenyl)propan-2-one;1-[4-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]imidazol-1-yl]ethanone;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-methylhexan-2-one;2-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-thiophen-2-ylethanone;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-thiophen-3-ylpropan-2-one;1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 157506457) has the molecular formula C100H86ClFN32O5S2 and a molecular weight of 1934.50 g/mol. Its IUPAC name is 1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-(2-fluorophenyl)propan-2-one;1-[4-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]imidazol-1-yl]ethanone;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-methylhexan-2-one;2-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-thiophen-2-ylethanone;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-thiophen-3-ylpropan-2-one;1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-[3-(4-Aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-(2-fluorophenyl)propan-2-one;1-[4-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]imidazol-1-yl]ethanone;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-methylhexan-2-one;2-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-thiophen-2-ylethanone;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-thiophen-3-ylpropan-2-one;1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID157506457
Molecular FormulaC100H86ClFN32O5S2
Molecular Weight1934.50 g/mol
Exact Mass1933.66
IUPAC Name1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-(2-fluorophenyl)propan-2-one;1-[4-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]imidazol-1-yl]ethanone;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-methylhexan-2-one;2-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-thiophen-2-ylethanone;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-thiophen-3-ylpropan-2-one;1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCC(C)CC(=O)CC1=CC(=CC=C1)N2C3=NC=NC(=C3C=N2)N.CC(=O)N1C=C(N=C1)C2=CC(=CC=C2)N3C4=NC=NC(=C4C=N3)N.C1=CC=C(C(=C1)CC(=O)CC2=CC(=CC=C2)N3C4=NC=NC(=C4C=N3)N)F.C1=CC(=CC(=C1)N2C3=NC=NC(=C3C=N2)N)CC(=O)CC4=CSC=C4.C1=CC(=CC(=C1)N2C3=NC=NC(=C3C=N2)N)CC(=O)C4=CC=CS4.C1=CC(=CC(=C1)Cl)N2C3=NC=NC(=C3C=N2)N
InChIInChI=1S/C20H16FN5O.C18H15N5OS.C18H21N5O.C17H13N5OS.C16H13N7O.C11H8ClN5/c21-18-7-2-1-5-14(18)10-16(27)9-13-4-3-6-15(8-13)26-20-17(11-25-26)19(22)23-12-24-20;19-17-16-9-22-23(18(16)21-11-20-17)14-3-1-2-12(6-14)7-15(24)8-13-4-5-25-10-13;1-3-12(2)7-15(24)9-13-5-4-6-14(8-13)23-18-16(10-22-23)17(19)20-11-21-18;18-16-13-9-21-22(17(13)20-10-19-16)12-4-1-3-11(7-12)8-14(23)15-5-2-6-24-15;1-10(24)22-7-14(20-9-22)11-3-2-4-12(5-11)23-16-13(6-21-23)15(17)18-8-19-16;12-7-2-1-3-8(4-7)17-11-9(5-16-17)10(13)14-6-15-11/h1-8,11-12H,9-10H2,(H2,22,23,24);1-6,9-11H,7-8H2,(H2,19,20,21);4-6,8,10-12H,3,7,9H2,1-2H3,(H2,19,20,21);1-7,9-10H,8H2,(H2,18,19,20);2-9H,1H3,(H2,17,18,19);1-6H,(H2,13,14,15)
InChIKeyBZADIQCJUREZDE-UHFFFAOYSA-N
XLogP—
TPSA577.00 Ų
H-Bond Donors6
H-Bond Acceptors33
Rotatable Bonds23
Heavy Atoms141
Complexity2650

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001934.50
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1033

Analyze 1-[3-(4-Aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-(2-fluorophenyl)propan-2-one;1-[4-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]imidazol-1-yl]ethanone;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-methylhexan-2-one;2-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-thiophen-2-ylethanone;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-thiophen-3-ylpropan-2-one;1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-Aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-(2-fluorophenyl)propan-2-one;1-[4-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]imidazol-1-yl]ethanone;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-methylhexan-2-one;2-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-thiophen-2-ylethanone;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-thiophen-3-ylpropan-2-one;1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-[3-(4-Aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-(2-fluorophenyl)propan-2-one;1-[4-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]imidazol-1-yl]ethanone;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-methylhexan-2-one;2-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-thiophen-2-ylethanone;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-thiophen-3-ylpropan-2-one;1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 157506457) is 1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-(2-fluorophenyl)propan-2-one;1-[4-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]imidazol-1-yl]ethanone;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-methylhexan-2-one;2-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-thiophen-2-ylethanone;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-thiophen-3-ylpropan-2-one;1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-[3-(4-Aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-(2-fluorophenyl)propan-2-one;1-[4-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]imidazol-1-yl]ethanone;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-methylhexan-2-one;2-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-thiophen-2-ylethanone;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-thiophen-3-ylpropan-2-one;1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-[3-(4-Aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-(2-fluorophenyl)propan-2-one;1-[4-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]imidazol-1-yl]ethanone;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-methylhexan-2-one;2-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-thiophen-2-ylethanone;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-thiophen-3-ylpropan-2-one;1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine is CCC(C)CC(=O)CC1=CC(=CC=C1)N2C3=NC=NC(=C3C=N2)N.CC(=O)N1C=C(N=C1)C2=CC(=CC=C2)N3C4=NC=NC(=C4C=N3)N.C1=CC=C(C(=C1)CC(=O)CC2=CC(=CC=C2)N3C4=NC=NC(=C4C=N3)N)F.C1=CC(=CC(=C1)N2C3=NC=NC(=C3C=N2)N)CC(=O)CC4=CSC=C4.C1=CC(=CC(=C1)N2C3=NC=NC(=C3C=N2)N)CC(=O)C4=CC=CS4.C1=CC(=CC(=C1)Cl)N2C3=NC=NC(=C3C=N2)N.
What is the InChIKey of 1-[3-(4-Aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-(2-fluorophenyl)propan-2-one;1-[4-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]imidazol-1-yl]ethanone;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-methylhexan-2-one;2-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-thiophen-2-ylethanone;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-thiophen-3-ylpropan-2-one;1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is BZADIQCJUREZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O.C18H15N5OS.C18H21N5O.C17H13N5OS.C16H13N7O.C11H8ClN5/c21-18-7-2-1-5-14(18)10-16(27)9-13-4-3-6-15(8-13)26-20-17(11-25-26)19(22)23-12-24-20;19-17-16-9-22-23(18(16)21-11-20-17)14-3-1-2-12(6-14)7-15(24)8-13-4-5-25-10-13;1-3-12(2)7-15(24)9-13-5-4-6-14(8-13)23-18-16(10-22-23)17(19)20-11-21-18;18-16-13-9-21-22(17(13)20-10-19-16)12-4-1-3-11(7-12)8-14(23)15-5-2-6-24-15;1-10(24)22-7-14(20-9-22)11-3-2-4-12(5-11)23-16-13(6-21-23)15(17)18-8-19-16;12-7-2-1-3-8(4-7)17-11-9(5-16-17)10(13)14-6-15-11/h1-8,11-12H,9-10H2,(H2,22,23,24);1-6,9-11H,7-8H2,(H2,19,20,21);4-6,8,10-12H,3,7,9H2,1-2H3,(H2,19,20,21);1-7,9-10H,8H2,(H2,18,19,20);2-9H,1H3,(H2,17,18,19);1-6H,(H2,13,14,15).
What are the key properties of 1-[3-(4-Aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-(2-fluorophenyl)propan-2-one;1-[4-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]imidazol-1-yl]ethanone;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-methylhexan-2-one;2-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-thiophen-2-ylethanone;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-thiophen-3-ylpropan-2-one;1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
1-[3-(4-Aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-(2-fluorophenyl)propan-2-one;1-[4-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]imidazol-1-yl]ethanone;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-methylhexan-2-one;2-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-thiophen-2-ylethanone;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-thiophen-3-ylpropan-2-one;1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 1934.50 g/mol, XLogP of not available, 23 rotatable bonds, 6 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-Aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-(2-fluorophenyl)propan-2-one;1-[4-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]imidazol-1-yl]ethanone;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-methylhexan-2-one;2-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-thiophen-2-ylethanone;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-thiophen-3-ylpropan-2-one;1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 157506457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).