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

C111H92N26O6S — CID 159410508

About N-(2-ethoxy-5-phenylphenyl)-5-(2H-pyrrol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[5-(furan-3-yl)-2-methoxyphenyl]-5-(2H-pyrrol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(2-methoxy-5-phenylphenyl)-5-(2H-pyrrol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(2-methoxy-5-pyridin-2-ylphenyl)-5-(2H-pyrrol-5-yl)-7H-pyrrolo[2,3-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)-5-(2H-pyrrol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[5-(furan-3-yl)-2-methoxyphenyl]-5-(2H-pyrrol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(2-methoxy-5-phenylphenyl)-5-(2H-pyrrol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(2-methoxy-5-pyridin-2-ylphenyl)-5-(2H-pyrrol-5-yl)-7H-pyrrolo[2,3-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 159410508) has the molecular formula C111H92N26O6S and a molecular weight of 1918.20 g/mol. Its IUPAC name is N-(2-ethoxy-5-phenylphenyl)-5-(2H-pyrrol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[5-(furan-3-yl)-2-methoxyphenyl]-5-(2H-pyrrol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(2-methoxy-5-phenylphenyl)-5-(2H-pyrrol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(2-methoxy-5-pyridin-2-ylphenyl)-5-(2H-pyrrol-5-yl)-7H-pyrrolo[2,3-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)-5-(2H-pyrrol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[5-(furan-3-yl)-2-methoxyphenyl]-5-(2H-pyrrol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(2-methoxy-5-phenylphenyl)-5-(2H-pyrrol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(2-methoxy-5-pyridin-2-ylphenyl)-5-(2H-pyrrol-5-yl)-7H-pyrrolo[2,3-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: 159410508
• Molecular Formula: C111H92N26O6S
• Molecular Weight: 1918.20 g/mol
• Exact Mass: 1916.74
• IUPAC Name: N-(2-ethoxy-5-phenylphenyl)-5-(2H-pyrrol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[5-(furan-3-yl)-2-methoxyphenyl]-5-(2H-pyrrol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(2-methoxy-5-phenylphenyl)-5-(2H-pyrrol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(2-methoxy-5-pyridin-2-ylphenyl)-5-(2H-pyrrol-5-yl)-7H-pyrrolo[2,3-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)cc1Nc1ncnc2[nH]cc(C3=NCC=C3)c12.COc1ccc(-c2ccccc2)cc1Nc1ncnc2[nH]cc(C3=NCC=C3)c12.COc1ccc(-c2ccccn2)cc1Nc1ncnc2[nH]cc(C3=NCC=C3)c12.COc1ccc(-c2ccoc2)cc1Nc1ncnc2[nH]cc(C3=NCC=C3)c12.COc1ccc(-c2ccsc2)cc1Nc1ncnc2[nH]cc(C3=NCC=C3)c12
• InChI: InChI=1S/C24H21N5O.C23H19N5O.C22H18N6O.C21H17N5O2.C21H17N5OS/c1-2-30-21-11-10-17(16-7-4-3-5-8-16)13-20(21)29-24-22-18(19-9-6-12-25-19)14-26-23(22)27-15-28-24;1-29-20-10-9-16(15-6-3-2-4-7-15)12-19(20)28-23-21-17(18-8-5-11-24-18)13-25-22(21)26-14-27-23;1-29-19-8-7-14(16-5-2-3-9-23-16)11-18(19)28-22-20-15(17-6-4-10-24-17)12-25-21(20)26-13-27-22;2*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/h3-11,13-15H,2,12H2,1H3,(H2,26,27,28,29);2-10,12-14H,11H2,1H3,(H2,25,26,27,28);2-9,11-13H,10H2,1H3,(H2,25,26,27,28);2*2-6,8-12H,7H2,1H3,(H2,23,24,25,26)
• InChIKey: LONAWOBNTIIGLK-UHFFFAOYSA-N
• XLogP: 23.12
• TPSA: 401.98 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 28
• Rotatable Bonds: 26
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1918.20
LogP ≤ 5	23.12
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxy-5-phenylphenyl)-5-(2H-pyrrol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[5-(furan-3-yl)-2-methoxyphenyl]-5-(2H-pyrrol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(2-methoxy-5-phenylphenyl)-5-(2H-pyrrol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(2-methoxy-5-pyridin-2-ylphenyl)-5-(2H-pyrrol-5-yl)-7H-pyrrolo[2,3-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)-5-(2H-pyrrol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[5-(furan-3-yl)-2-methoxyphenyl]-5-(2H-pyrrol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(2-methoxy-5-phenylphenyl)-5-(2H-pyrrol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(2-methoxy-5-pyridin-2-ylphenyl)-5-(2H-pyrrol-5-yl)-7H-pyrrolo[2,3-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 159410508) is N-(2-ethoxy-5-phenylphenyl)-5-(2H-pyrrol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[5-(furan-3-yl)-2-methoxyphenyl]-5-(2H-pyrrol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(2-methoxy-5-phenylphenyl)-5-(2H-pyrrol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(2-methoxy-5-pyridin-2-ylphenyl)-5-(2H-pyrrol-5-yl)-7H-pyrrolo[2,3-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)-5-(2H-pyrrol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[5-(furan-3-yl)-2-methoxyphenyl]-5-(2H-pyrrol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(2-methoxy-5-phenylphenyl)-5-(2H-pyrrol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(2-methoxy-5-pyridin-2-ylphenyl)-5-(2H-pyrrol-5-yl)-7H-pyrrolo[2,3-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)-5-(2H-pyrrol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[5-(furan-3-yl)-2-methoxyphenyl]-5-(2H-pyrrol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(2-methoxy-5-phenylphenyl)-5-(2H-pyrrol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(2-methoxy-5-pyridin-2-ylphenyl)-5-(2H-pyrrol-5-yl)-7H-pyrrolo[2,3-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)cc1Nc1ncnc2[nH]cc(C3=NCC=C3)c12.COc1ccc(-c2ccccc2)cc1Nc1ncnc2[nH]cc(C3=NCC=C3)c12.COc1ccc(-c2ccccn2)cc1Nc1ncnc2[nH]cc(C3=NCC=C3)c12.COc1ccc(-c2ccoc2)cc1Nc1ncnc2[nH]cc(C3=NCC=C3)c12.COc1ccc(-c2ccsc2)cc1Nc1ncnc2[nH]cc(C3=NCC=C3)c12.

What is the InChIKey of N-(2-ethoxy-5-phenylphenyl)-5-(2H-pyrrol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[5-(furan-3-yl)-2-methoxyphenyl]-5-(2H-pyrrol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(2-methoxy-5-phenylphenyl)-5-(2H-pyrrol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(2-methoxy-5-pyridin-2-ylphenyl)-5-(2H-pyrrol-5-yl)-7H-pyrrolo[2,3-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 LONAWOBNTIIGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O.C23H19N5O.C22H18N6O.C21H17N5O2.C21H17N5OS/c1-2-30-21-11-10-17(16-7-4-3-5-8-16)13-20(21)29-24-22-18(19-9-6-12-25-19)14-26-23(22)27-15-28-24;1-29-20-10-9-16(15-6-3-2-4-7-15)12-19(20)28-23-21-17(18-8-5-11-24-18)13-25-22(21)26-14-27-23;1-29-19-8-7-14(16-5-2-3-9-23-16)11-18(19)28-22-20-15(17-6-4-10-24-17)12-25-21(20)26-13-27-22;2*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/h3-11,13-15H,2,12H2,1H3,(H2,26,27,28,29);2-10,12-14H,11H2,1H3,(H2,25,26,27,28);2-9,11-13H,10H2,1H3,(H2,25,26,27,28);2*2-6,8-12H,7H2,1H3,(H2,23,24,25,26).

What are the key properties of N-(2-ethoxy-5-phenylphenyl)-5-(2H-pyrrol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[5-(furan-3-yl)-2-methoxyphenyl]-5-(2H-pyrrol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(2-methoxy-5-phenylphenyl)-5-(2H-pyrrol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(2-methoxy-5-pyridin-2-ylphenyl)-5-(2H-pyrrol-5-yl)-7H-pyrrolo[2,3-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)-5-(2H-pyrrol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[5-(furan-3-yl)-2-methoxyphenyl]-5-(2H-pyrrol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(2-methoxy-5-phenylphenyl)-5-(2H-pyrrol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(2-methoxy-5-pyridin-2-ylphenyl)-5-(2H-pyrrol-5-yl)-7H-pyrrolo[2,3-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 1918.20 g/mol, XLogP of 23.12, 26 rotatable bonds, 10 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-ethoxy-5-phenylphenyl)-5-(2H-pyrrol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[5-(furan-3-yl)-2-methoxyphenyl]-5-(2H-pyrrol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(2-methoxy-5-phenylphenyl)-5-(2H-pyrrol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(2-methoxy-5-pyridin-2-ylphenyl)-5-(2H-pyrrol-5-yl)-7H-pyrrolo[2,3-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 159410508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).