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

C87H71N21O5S — CID 158520657

About 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-[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 158520657) has the molecular formula C87H71N21O5S and a molecular weight of 1522.73 g/mol. Its IUPAC name is 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-[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: 158520657
• Molecular Formula: C87H71N21O5S
• Molecular Weight: 1522.73 g/mol
• Exact Mass: 1521.57
• IUPAC Name: 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: 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/C23H19N5O.C22H18N6O.C21H17N5O2.C21H17N5OS/c1-29-20-10-9-16(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/h2-10,12-14H,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: HMEHUIIDGHZXHU-UHFFFAOYSA-N
• XLogP: 17.99
• TPSA: 326.79 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 23
• Rotatable Bonds: 20
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1522.73
LogP ≤ 5	17.99
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 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-[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 158520657) is 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-[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-[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 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-[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 HMEHUIIDGHZXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O.C22H18N6O.C21H17N5O2.C21H17N5OS/c1-29-20-10-9-16(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/h2-10,12-14H,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-[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-[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 1522.73 g/mol, XLogP of 17.99, 20 rotatable bonds, 8 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 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 158520657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).