3-(furan-2-yl)-N-[2-methoxy-5-(2-methylpyrazol-3-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;3-(furan-2-yl)-N-[2-methoxy-5-(3-methylthiophen-2-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-[5-(furan-3-yl)-2-methoxyphenyl]-3-(1-methylpyrrol-3-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-[5-(furan-3-yl)-2-methoxyphenyl]-3-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine
C84H69N23O8S — CID 158412405
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC3-(furan-2-yl)-N-[2-methoxy-5-(2-methylpyrazol-3-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;3-(furan-2-yl)-N-[2-methoxy-5-(3-methylthiophen-2-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-[5-(furan-3-yl)-2-methoxyphenyl]-3-(1-methylpyrrol-3-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-[5-(furan-3-yl)-2-methoxyphenyl]-3-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1ccc(-c2ccnn2C)cc1Nc1ncnc2n[nH]c(-c3ccco3)c12.COc1ccc(-c2ccoc2)cc1Nc1ncnc2n[nH]c(-c3ccccc3)c12.COc1ccc(-c2ccoc2)cc1Nc1ncnc2n[nH]c(-c3ccn(C)c3)c12.COc1ccc(-c2sccc2C)cc1Nc1ncnc2n[nH]c(-c3ccco3)c12
InChIInChI=1S/C22H17N5O2.C21H18N6O2.C21H17N5O2S.C20H17N7O2/c1-28-18-8-7-15(16-9-10-29-12-16)11-17(18)25-21-19-20(14-5-3-2-4-6-14)26-27-22(19)24-13-23-21;1-27-7-5-14(10-27)19-18-20(22-12-23-21(18)26-25-19)24-16-9-13(3-4-17(16)28-2)15-6-8-29-11-15;1-12-7-9-29-19(12)13-5-6-15(27-2)14(10-13)24-20-17-18(16-4-3-8-28-16)25-26-21(17)23-11-22-20;1-27-14(7-8-23-27)12-5-6-15(28-2)13(10-12)24-19-17-18(16-4-3-9-29-16)25-26-20(17)22-11-21-19/h2-13H,1H3,(H2,23,24,25,26,27);3-12H,1-2H3,(H2,22,23,24,25,26);3-11H,1-2H3,(H2,22,23,24,25,26);3-11H,1-2H3,(H2,21,22,24,25,26)
InChIKeyGZLYHVRZPBSGQL-UHFFFAOYSA-N
MW1560.70 g/mol
LogP18.57
Rot. Bonds20
About 3-(furan-2-yl)-N-[2-methoxy-5-(2-methylpyrazol-3-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;3-(furan-2-yl)-N-[2-methoxy-5-(3-methylthiophen-2-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-[5-(furan-3-yl)-2-methoxyphenyl]-3-(1-methylpyrrol-3-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-[5-(furan-3-yl)-2-methoxyphenyl]-3-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine
3-(furan-2-yl)-N-[2-methoxy-5-(2-methylpyrazol-3-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;3-(furan-2-yl)-N-[2-methoxy-5-(3-methylthiophen-2-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-[5-(furan-3-yl)-2-methoxyphenyl]-3-(1-methylpyrrol-3-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-[5-(furan-3-yl)-2-methoxyphenyl]-3-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 158412405) has the molecular formula C84H69N23O8S and a molecular weight of 1560.70 g/mol. Its IUPAC name is 3-(furan-2-yl)-N-[2-methoxy-5-(2-methylpyrazol-3-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;3-(furan-2-yl)-N-[2-methoxy-5-(3-methylthiophen-2-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-[5-(furan-3-yl)-2-methoxyphenyl]-3-(1-methylpyrrol-3-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-[5-(furan-3-yl)-2-methoxyphenyl]-3-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine.
Molecular Properties
| Compound Name | 3-(furan-2-yl)-N-[2-methoxy-5-(2-methylpyrazol-3-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;3-(furan-2-yl)-N-[2-methoxy-5-(3-methylthiophen-2-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-[5-(furan-3-yl)-2-methoxyphenyl]-3-(1-methylpyrrol-3-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-[5-(furan-3-yl)-2-methoxyphenyl]-3-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine |
|---|---|
| PubChem CID | 158412405 |
| Molecular Formula | C84H69N23O8S |
| Molecular Weight | 1560.70 g/mol |
| Exact Mass | 1559.54 |
| IUPAC Name | 3-(furan-2-yl)-N-[2-methoxy-5-(2-methylpyrazol-3-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;3-(furan-2-yl)-N-[2-methoxy-5-(3-methylthiophen-2-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-[5-(furan-3-yl)-2-methoxyphenyl]-3-(1-methylpyrrol-3-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-[5-(furan-3-yl)-2-methoxyphenyl]-3-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine |
| SMILES | COc1ccc(-c2ccnn2C)cc1Nc1ncnc2n[nH]c(-c3ccco3)c12.COc1ccc(-c2ccoc2)cc1Nc1ncnc2n[nH]c(-c3ccccc3)c12.COc1ccc(-c2ccoc2)cc1Nc1ncnc2n[nH]c(-c3ccn(C)c3)c12.COc1ccc(-c2sccc2C)cc1Nc1ncnc2n[nH]c(-c3ccco3)c12 |
| InChI | InChI=1S/C22H17N5O2.C21H18N6O2.C21H17N5O2S.C20H17N7O2/c1-28-18-8-7-15(16-9-10-29-12-16)11-17(18)25-21-19-20(14-5-3-2-4-6-14)26-27-22(19)24-13-23-21;1-27-7-5-14(10-27)19-18-20(22-12-23-21(18)26-25-19)24-16-9-13(3-4-17(16)28-2)15-6-8-29-11-15;1-12-7-9-29-19(12)13-5-6-15(27-2)14(10-13)24-20-17-18(16-4-3-8-28-16)25-26-21(17)23-11-22-20;1-27-14(7-8-23-27)12-5-6-15(28-2)13(10-12)24-19-17-18(16-4-3-9-29-16)25-26-20(17)22-11-21-19/h2-13H,1H3,(H2,23,24,25,26,27);3-12H,1-2H3,(H2,22,23,24,25,26);3-11H,1-2H3,(H2,22,23,24,25,26);3-11H,1-2H3,(H2,21,22,24,25,26) |
| InChIKey | GZLYHVRZPBSGQL-UHFFFAOYSA-N |
| XLogP | 18.57 |
| TPSA | 378.19 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 28 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 116 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1560.70 |
| LogP ≤ 5 | 18.57 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 28 |
Frequently Asked Questions
What is the IUPAC name of 3-(furan-2-yl)-N-[2-methoxy-5-(2-methylpyrazol-3-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;3-(furan-2-yl)-N-[2-methoxy-5-(3-methylthiophen-2-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-[5-(furan-3-yl)-2-methoxyphenyl]-3-(1-methylpyrrol-3-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-[5-(furan-3-yl)-2-methoxyphenyl]-3-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-(furan-2-yl)-N-[2-methoxy-5-(2-methylpyrazol-3-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;3-(furan-2-yl)-N-[2-methoxy-5-(3-methylthiophen-2-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-[5-(furan-3-yl)-2-methoxyphenyl]-3-(1-methylpyrrol-3-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-[5-(furan-3-yl)-2-methoxyphenyl]-3-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine (CID 158412405) is 3-(furan-2-yl)-N-[2-methoxy-5-(2-methylpyrazol-3-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;3-(furan-2-yl)-N-[2-methoxy-5-(3-methylthiophen-2-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-[5-(furan-3-yl)-2-methoxyphenyl]-3-(1-methylpyrrol-3-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-[5-(furan-3-yl)-2-methoxyphenyl]-3-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-(furan-2-yl)-N-[2-methoxy-5-(2-methylpyrazol-3-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;3-(furan-2-yl)-N-[2-methoxy-5-(3-methylthiophen-2-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-[5-(furan-3-yl)-2-methoxyphenyl]-3-(1-methylpyrrol-3-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-[5-(furan-3-yl)-2-methoxyphenyl]-3-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-(furan-2-yl)-N-[2-methoxy-5-(2-methylpyrazol-3-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;3-(furan-2-yl)-N-[2-methoxy-5-(3-methylthiophen-2-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-[5-(furan-3-yl)-2-methoxyphenyl]-3-(1-methylpyrrol-3-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-[5-(furan-3-yl)-2-methoxyphenyl]-3-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine is COc1ccc(-c2ccnn2C)cc1Nc1ncnc2n[nH]c(-c3ccco3)c12.COc1ccc(-c2ccoc2)cc1Nc1ncnc2n[nH]c(-c3ccccc3)c12.COc1ccc(-c2ccoc2)cc1Nc1ncnc2n[nH]c(-c3ccn(C)c3)c12.COc1ccc(-c2sccc2C)cc1Nc1ncnc2n[nH]c(-c3ccco3)c12.
What is the InChIKey of 3-(furan-2-yl)-N-[2-methoxy-5-(2-methylpyrazol-3-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;3-(furan-2-yl)-N-[2-methoxy-5-(3-methylthiophen-2-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-[5-(furan-3-yl)-2-methoxyphenyl]-3-(1-methylpyrrol-3-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-[5-(furan-3-yl)-2-methoxyphenyl]-3-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is GZLYHVRZPBSGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O2.C21H18N6O2.C21H17N5O2S.C20H17N7O2/c1-28-18-8-7-15(16-9-10-29-12-16)11-17(18)25-21-19-20(14-5-3-2-4-6-14)26-27-22(19)24-13-23-21;1-27-7-5-14(10-27)19-18-20(22-12-23-21(18)26-25-19)24-16-9-13(3-4-17(16)28-2)15-6-8-29-11-15;1-12-7-9-29-19(12)13-5-6-15(27-2)14(10-13)24-20-17-18(16-4-3-8-28-16)25-26-21(17)23-11-22-20;1-27-14(7-8-23-27)12-5-6-15(28-2)13(10-12)24-19-17-18(16-4-3-9-29-16)25-26-20(17)22-11-21-19/h2-13H,1H3,(H2,23,24,25,26,27);3-12H,1-2H3,(H2,22,23,24,25,26);3-11H,1-2H3,(H2,22,23,24,25,26);3-11H,1-2H3,(H2,21,22,24,25,26).
What are the key properties of 3-(furan-2-yl)-N-[2-methoxy-5-(2-methylpyrazol-3-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;3-(furan-2-yl)-N-[2-methoxy-5-(3-methylthiophen-2-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-[5-(furan-3-yl)-2-methoxyphenyl]-3-(1-methylpyrrol-3-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-[5-(furan-3-yl)-2-methoxyphenyl]-3-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
3-(furan-2-yl)-N-[2-methoxy-5-(2-methylpyrazol-3-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;3-(furan-2-yl)-N-[2-methoxy-5-(3-methylthiophen-2-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-[5-(furan-3-yl)-2-methoxyphenyl]-3-(1-methylpyrrol-3-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-[5-(furan-3-yl)-2-methoxyphenyl]-3-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 1560.70 g/mol, XLogP of 18.57, 20 rotatable bonds, 8 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-N-[2-methoxy-5-(2-methylpyrazol-3-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;3-(furan-2-yl)-N-[2-methoxy-5-(3-methylthiophen-2-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-[5-(furan-3-yl)-2-methoxyphenyl]-3-(1-methylpyrrol-3-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-[5-(furan-3-yl)-2-methoxyphenyl]-3-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 158412405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.
Sources
- PubChem CID 158412405 — identifiers, structure, computed properties (public domain)
How this page is built: methodology · editorial policy & corrections.
For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.