N-(2-methoxy-5-phenylphenyl)-3-(1-methylpyrazol-3-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-methoxy-5-phenylphenyl)-5-(1-methylpyrazol-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(2-methoxy-5-phenylphenyl)-3-(2H-pyrrol-5-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-methoxy-5-thiophen-2-ylphenyl)-5-(2H-pyrrol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C88H74N24O4S — CID 158003373

About N-(2-methoxy-5-phenylphenyl)-3-(1-methylpyrazol-3-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-methoxy-5-phenylphenyl)-5-(1-methylpyrazol-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(2-methoxy-5-phenylphenyl)-3-(2H-pyrrol-5-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-methoxy-5-thiophen-2-ylphenyl)-5-(2H-pyrrol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

N-(2-methoxy-5-phenylphenyl)-3-(1-methylpyrazol-3-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-methoxy-5-phenylphenyl)-5-(1-methylpyrazol-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(2-methoxy-5-phenylphenyl)-3-(2H-pyrrol-5-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-methoxy-5-thiophen-2-ylphenyl)-5-(2H-pyrrol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 158003373) has the molecular formula C88H74N24O4S and a molecular weight of 1563.79 g/mol. Its IUPAC name is N-(2-methoxy-5-phenylphenyl)-3-(1-methylpyrazol-3-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-methoxy-5-phenylphenyl)-5-(1-methylpyrazol-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(2-methoxy-5-phenylphenyl)-3-(2H-pyrrol-5-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-methoxy-5-thiophen-2-ylphenyl)-5-(2H-pyrrol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: N-(2-methoxy-5-phenylphenyl)-3-(1-methylpyrazol-3-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-methoxy-5-phenylphenyl)-5-(1-methylpyrazol-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(2-methoxy-5-phenylphenyl)-3-(2H-pyrrol-5-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-methoxy-5-thiophen-2-ylphenyl)-5-(2H-pyrrol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
• PubChem CID: 158003373
• Molecular Formula: C88H74N24O4S
• Molecular Weight: 1563.79 g/mol
• Exact Mass: 1562.60
• IUPAC Name: N-(2-methoxy-5-phenylphenyl)-3-(1-methylpyrazol-3-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-methoxy-5-phenylphenyl)-5-(1-methylpyrazol-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(2-methoxy-5-phenylphenyl)-3-(2H-pyrrol-5-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-methoxy-5-thiophen-2-ylphenyl)-5-(2H-pyrrol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
• SMILES: COc1ccc(-c2ccccc2)cc1Nc1ncnc2[nH]cc(-c3ccn(C)n3)c12.COc1ccc(-c2ccccc2)cc1Nc1ncnc2n[nH]c(-c3ccn(C)n3)c12.COc1ccc(-c2ccccc2)cc1Nc1ncnc2n[nH]c(C3=NCC=C3)c12.COc1ccc(-c2cccs2)cc1Nc1ncnc2[nH]cc(C3=NCC=C3)c12
• InChI: InChI=1S/C23H20N6O.C22H19N7O.C22H18N6O.C21H17N5OS/c1-29-11-10-18(28-29)17-13-24-22-21(17)23(26-14-25-22)27-19-12-16(8-9-20(19)30-2)15-6-4-3-5-7-15;1-29-11-10-16(28-29)20-19-21(23-13-24-22(19)27-26-20)25-17-12-15(8-9-18(17)30-2)14-6-4-3-5-7-14;1-29-18-10-9-15(14-6-3-2-4-7-14)12-17(18)26-21-19-20(16-8-5-11-23-16)27-28-22(19)25-13-24-21;1-27-17-7-6-13(18-5-3-9-28-18)10-16(17)26-21-19-14(15-4-2-8-22-15)11-23-20(19)24-12-25-21/h3-14H,1-2H3,(H2,24,25,26,27);3-13H,1-2H3,(H2,23,24,25,26,27);2-10,12-13H,11H2,1H3,(H2,24,25,26,27,28);2-7,9-12H,8H2,1H3,(H2,23,24,25,26)
• InChIKey: FDZOXIJWHJZQSR-UHFFFAOYSA-N
• XLogP: 17.88
• TPSA: 337.46 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 25
• Rotatable Bonds: 20
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1563.79
LogP ≤ 5	17.88
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-phenylphenyl)-3-(1-methylpyrazol-3-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-methoxy-5-phenylphenyl)-5-(1-methylpyrazol-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(2-methoxy-5-phenylphenyl)-3-(2H-pyrrol-5-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-methoxy-5-thiophen-2-ylphenyl)-5-(2H-pyrrol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?

The IUPAC name of N-(2-methoxy-5-phenylphenyl)-3-(1-methylpyrazol-3-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-methoxy-5-phenylphenyl)-5-(1-methylpyrazol-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(2-methoxy-5-phenylphenyl)-3-(2H-pyrrol-5-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-methoxy-5-thiophen-2-ylphenyl)-5-(2H-pyrrol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 158003373) is N-(2-methoxy-5-phenylphenyl)-3-(1-methylpyrazol-3-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-methoxy-5-phenylphenyl)-5-(1-methylpyrazol-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(2-methoxy-5-phenylphenyl)-3-(2H-pyrrol-5-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-methoxy-5-thiophen-2-ylphenyl)-5-(2H-pyrrol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

What is the SMILES notation for N-(2-methoxy-5-phenylphenyl)-3-(1-methylpyrazol-3-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-methoxy-5-phenylphenyl)-5-(1-methylpyrazol-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(2-methoxy-5-phenylphenyl)-3-(2H-pyrrol-5-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-methoxy-5-thiophen-2-ylphenyl)-5-(2H-pyrrol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?

The canonical SMILES for N-(2-methoxy-5-phenylphenyl)-3-(1-methylpyrazol-3-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-methoxy-5-phenylphenyl)-5-(1-methylpyrazol-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(2-methoxy-5-phenylphenyl)-3-(2H-pyrrol-5-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-methoxy-5-thiophen-2-ylphenyl)-5-(2H-pyrrol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is COc1ccc(-c2ccccc2)cc1Nc1ncnc2[nH]cc(-c3ccn(C)n3)c12.COc1ccc(-c2ccccc2)cc1Nc1ncnc2n[nH]c(-c3ccn(C)n3)c12.COc1ccc(-c2ccccc2)cc1Nc1ncnc2n[nH]c(C3=NCC=C3)c12.COc1ccc(-c2cccs2)cc1Nc1ncnc2[nH]cc(C3=NCC=C3)c12.

What is the InChIKey of N-(2-methoxy-5-phenylphenyl)-3-(1-methylpyrazol-3-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-methoxy-5-phenylphenyl)-5-(1-methylpyrazol-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(2-methoxy-5-phenylphenyl)-3-(2H-pyrrol-5-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-methoxy-5-thiophen-2-ylphenyl)-5-(2H-pyrrol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?

The InChIKey is FDZOXIJWHJZQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O.C22H19N7O.C22H18N6O.C21H17N5OS/c1-29-11-10-18(28-29)17-13-24-22-21(17)23(26-14-25-22)27-19-12-16(8-9-20(19)30-2)15-6-4-3-5-7-15;1-29-11-10-16(28-29)20-19-21(23-13-24-22(19)27-26-20)25-17-12-15(8-9-18(17)30-2)14-6-4-3-5-7-14;1-29-18-10-9-15(14-6-3-2-4-7-14)12-17(18)26-21-19-20(16-8-5-11-23-16)27-28-22(19)25-13-24-21;1-27-17-7-6-13(18-5-3-9-28-18)10-16(17)26-21-19-14(15-4-2-8-22-15)11-23-20(19)24-12-25-21/h3-14H,1-2H3,(H2,24,25,26,27);3-13H,1-2H3,(H2,23,24,25,26,27);2-10,12-13H,11H2,1H3,(H2,24,25,26,27,28);2-7,9-12H,8H2,1H3,(H2,23,24,25,26).

What are the key properties of N-(2-methoxy-5-phenylphenyl)-3-(1-methylpyrazol-3-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-methoxy-5-phenylphenyl)-5-(1-methylpyrazol-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(2-methoxy-5-phenylphenyl)-3-(2H-pyrrol-5-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-methoxy-5-thiophen-2-ylphenyl)-5-(2H-pyrrol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?

N-(2-methoxy-5-phenylphenyl)-3-(1-methylpyrazol-3-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-methoxy-5-phenylphenyl)-5-(1-methylpyrazol-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(2-methoxy-5-phenylphenyl)-3-(2H-pyrrol-5-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-methoxy-5-thiophen-2-ylphenyl)-5-(2H-pyrrol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 1563.79 g/mol, XLogP of 17.88, 20 rotatable bonds, 8 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-methoxy-5-phenylphenyl)-3-(1-methylpyrazol-3-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-methoxy-5-phenylphenyl)-5-(1-methylpyrazol-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(2-methoxy-5-phenylphenyl)-3-(2H-pyrrol-5-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-methoxy-5-thiophen-2-ylphenyl)-5-(2H-pyrrol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 158003373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).