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

C107H88N30O6S — CID 162176006

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

N-(2-ethoxy-5-phenylphenyl)-3-(2H-pyrrol-5-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-[5-(furan-3-yl)-2-methoxyphenyl]-3-(2H-pyrrol-5-yl)-2H-pyrazolo[3,4-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-pyridin-2-ylphenyl)-3-(2H-pyrrol-5-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-methoxy-5-thiophen-3-ylphenyl)-5-(2H-pyrrol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 162176006) has the molecular formula C107H88N30O6S and a molecular weight of 1922.15 g/mol. Its IUPAC name is N-(2-ethoxy-5-phenylphenyl)-3-(2H-pyrrol-5-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-[5-(furan-3-yl)-2-methoxyphenyl]-3-(2H-pyrrol-5-yl)-2H-pyrazolo[3,4-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-pyridin-2-ylphenyl)-3-(2H-pyrrol-5-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-methoxy-5-thiophen-3-ylphenyl)-5-(2H-pyrrol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: N-(2-ethoxy-5-phenylphenyl)-3-(2H-pyrrol-5-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-[5-(furan-3-yl)-2-methoxyphenyl]-3-(2H-pyrrol-5-yl)-2H-pyrazolo[3,4-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-pyridin-2-ylphenyl)-3-(2H-pyrrol-5-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-methoxy-5-thiophen-3-ylphenyl)-5-(2H-pyrrol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
• PubChem CID: 162176006
• Molecular Formula: C107H88N30O6S
• Molecular Weight: 1922.15 g/mol
• Exact Mass: 1920.72
• IUPAC Name: N-(2-ethoxy-5-phenylphenyl)-3-(2H-pyrrol-5-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-[5-(furan-3-yl)-2-methoxyphenyl]-3-(2H-pyrrol-5-yl)-2H-pyrazolo[3,4-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-pyridin-2-ylphenyl)-3-(2H-pyrrol-5-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-methoxy-5-thiophen-3-ylphenyl)-5-(2H-pyrrol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
• SMILES: CCOc1ccc(-c2ccccc2)cc1Nc1ncnc2n[nH]c(C3=NCC=C3)c12.COc1ccc(-c2ccccc2)cc1Nc1ncnc2n[nH]c(C3=NCC=C3)c12.COc1ccc(-c2ccccn2)cc1Nc1ncnc2n[nH]c(C3=NCC=C3)c12.COc1ccc(-c2ccoc2)cc1Nc1ncnc2n[nH]c(C3=NCC=C3)c12.COc1ccc(-c2ccsc2)cc1Nc1ncnc2[nH]cc(C3=NCC=C3)c12
• InChI: InChI=1S/C23H20N6O.C22H18N6O.C21H17N7O.C21H17N5OS.C20H16N6O2/c1-2-30-19-11-10-16(15-7-4-3-5-8-15)13-18(19)27-22-20-21(17-9-6-12-24-17)28-29-23(20)26-14-25-22;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;1-29-17-8-7-13(14-5-2-3-9-22-14)11-16(17)26-20-18-19(15-6-4-10-23-15)27-28-21(18)25-12-24-20;1-27-18-5-4-13(14-6-8-28-11-14)9-17(18)26-21-19-15(16-3-2-7-22-16)10-23-20(19)24-12-25-21;1-27-16-5-4-12(13-6-8-28-10-13)9-15(16)24-19-17-18(14-3-2-7-21-14)25-26-20(17)23-11-22-19/h3-11,13-14H,2,12H2,1H3,(H2,25,26,27,28,29);2-10,12-13H,11H2,1H3,(H2,24,25,26,27,28);2-9,11-12H,10H2,1H3,(H2,24,25,26,27,28);2-6,8-12H,7H2,1H3,(H2,23,24,25,26);2-6,8-11H,7H2,1H3,(H2,22,23,24,25,26)
• InChIKey: ZOKHDJIOIGRLQZ-UHFFFAOYSA-N
• XLogP: 20.70
• TPSA: 453.54 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 32
• Rotatable Bonds: 26
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1922.15
LogP ≤ 5	20.70
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

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

The IUPAC name of N-(2-ethoxy-5-phenylphenyl)-3-(2H-pyrrol-5-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-[5-(furan-3-yl)-2-methoxyphenyl]-3-(2H-pyrrol-5-yl)-2H-pyrazolo[3,4-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-pyridin-2-ylphenyl)-3-(2H-pyrrol-5-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-methoxy-5-thiophen-3-ylphenyl)-5-(2H-pyrrol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 162176006) is N-(2-ethoxy-5-phenylphenyl)-3-(2H-pyrrol-5-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-[5-(furan-3-yl)-2-methoxyphenyl]-3-(2H-pyrrol-5-yl)-2H-pyrazolo[3,4-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-pyridin-2-ylphenyl)-3-(2H-pyrrol-5-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-methoxy-5-thiophen-3-ylphenyl)-5-(2H-pyrrol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

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

The canonical SMILES for N-(2-ethoxy-5-phenylphenyl)-3-(2H-pyrrol-5-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-[5-(furan-3-yl)-2-methoxyphenyl]-3-(2H-pyrrol-5-yl)-2H-pyrazolo[3,4-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-pyridin-2-ylphenyl)-3-(2H-pyrrol-5-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-methoxy-5-thiophen-3-ylphenyl)-5-(2H-pyrrol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is CCOc1ccc(-c2ccccc2)cc1Nc1ncnc2n[nH]c(C3=NCC=C3)c12.COc1ccc(-c2ccccc2)cc1Nc1ncnc2n[nH]c(C3=NCC=C3)c12.COc1ccc(-c2ccccn2)cc1Nc1ncnc2n[nH]c(C3=NCC=C3)c12.COc1ccc(-c2ccoc2)cc1Nc1ncnc2n[nH]c(C3=NCC=C3)c12.COc1ccc(-c2ccsc2)cc1Nc1ncnc2[nH]cc(C3=NCC=C3)c12.

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

The InChIKey is ZOKHDJIOIGRLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O.C22H18N6O.C21H17N7O.C21H17N5OS.C20H16N6O2/c1-2-30-19-11-10-16(15-7-4-3-5-8-15)13-18(19)27-22-20-21(17-9-6-12-24-17)28-29-23(20)26-14-25-22;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;1-29-17-8-7-13(14-5-2-3-9-22-14)11-16(17)26-20-18-19(15-6-4-10-23-15)27-28-21(18)25-12-24-20;1-27-18-5-4-13(14-6-8-28-11-14)9-17(18)26-21-19-15(16-3-2-7-22-16)10-23-20(19)24-12-25-21;1-27-16-5-4-12(13-6-8-28-10-13)9-15(16)24-19-17-18(14-3-2-7-21-14)25-26-20(17)23-11-22-19/h3-11,13-14H,2,12H2,1H3,(H2,25,26,27,28,29);2-10,12-13H,11H2,1H3,(H2,24,25,26,27,28);2-9,11-12H,10H2,1H3,(H2,24,25,26,27,28);2-6,8-12H,7H2,1H3,(H2,23,24,25,26);2-6,8-11H,7H2,1H3,(H2,22,23,24,25,26).

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

N-(2-ethoxy-5-phenylphenyl)-3-(2H-pyrrol-5-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-[5-(furan-3-yl)-2-methoxyphenyl]-3-(2H-pyrrol-5-yl)-2H-pyrazolo[3,4-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-pyridin-2-ylphenyl)-3-(2H-pyrrol-5-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-methoxy-5-thiophen-3-ylphenyl)-5-(2H-pyrrol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 1922.15 g/mol, XLogP of 20.70, 26 rotatable bonds, 10 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-ethoxy-5-phenylphenyl)-3-(2H-pyrrol-5-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-[5-(furan-3-yl)-2-methoxyphenyl]-3-(2H-pyrrol-5-yl)-2H-pyrazolo[3,4-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-pyridin-2-ylphenyl)-3-(2H-pyrrol-5-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-methoxy-5-thiophen-3-ylphenyl)-5-(2H-pyrrol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 162176006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).