3-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]furo[2,3-c]pyridine;5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,6-naphthyridin-1-amine;5-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-1-amine;5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-1-amine
C89H53Cl2F5N16O — CID 159738974
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC3-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]furo[2,3-c]pyridine;5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,6-naphthyridin-1-amine;5-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-1-amine;5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-1-amine
SMILESFc1ccc(Cl)cc1-c1cc(-c2coc3cnccc23)c2cccnc2n1.Nc1nccc2c(-c3cc(-c4cc(Cl)ccc4F)nc4ncccc34)nccc12.Nc1nccc2c(-c3cc(-c4cc(F)ccc4F)nc4ncccc34)cccc12.Nc1nccc2c(-c3cc(-c4ccccc4F)nc4ncccc34)cccc12
InChIInChI=1S/C23H14F2N4.C23H15FN4.C22H13ClFN5.C21H11ClFN3O/c24-13-6-7-20(25)19(11-13)21-12-18(17-5-2-9-28-23(17)29-21)14-3-1-4-16-15(14)8-10-27-22(16)26;24-20-9-2-1-5-18(20)21-13-19(17-8-4-11-27-23(17)28-21)14-6-3-7-16-15(14)10-12-26-22(16)25;23-12-3-4-18(24)17(10-12)19-11-16(15-2-1-7-28-22(15)29-19)20-13-5-9-27-21(25)14(13)6-8-26-20;22-12-3-4-18(23)16(8-12)19-9-15(14-2-1-6-25-21(14)26-19)17-11-27-20-10-24-7-5-13(17)20/h1-12H,(H2,26,27);1-13H,(H2,25,26);1-11H,(H2,25,27);1-11H
InChIKeyNCEXCVZGNNJQQF-UHFFFAOYSA-N
MW1528.41 g/mol
LogP21.78
Rot. Bonds8
About 3-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]furo[2,3-c]pyridine;5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,6-naphthyridin-1-amine;5-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-1-amine;5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-1-amine
3-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]furo[2,3-c]pyridine;5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,6-naphthyridin-1-amine;5-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-1-amine;5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-1-amine (PubChem CID 159738974) has the molecular formula C89H53Cl2F5N16O and a molecular weight of 1528.41 g/mol. Its IUPAC name is 3-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]furo[2,3-c]pyridine;5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,6-naphthyridin-1-amine;5-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-1-amine;5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-1-amine.
Molecular Properties
| Compound Name | 3-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]furo[2,3-c]pyridine;5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,6-naphthyridin-1-amine;5-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-1-amine;5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-1-amine |
|---|---|
| PubChem CID | 159738974 |
| Molecular Formula | C89H53Cl2F5N16O |
| Molecular Weight | 1528.41 g/mol |
| Exact Mass | 1526.39 |
| IUPAC Name | 3-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]furo[2,3-c]pyridine;5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,6-naphthyridin-1-amine;5-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-1-amine;5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-1-amine |
| SMILES | Fc1ccc(Cl)cc1-c1cc(-c2coc3cnccc23)c2cccnc2n1.Nc1nccc2c(-c3cc(-c4cc(Cl)ccc4F)nc4ncccc34)nccc12.Nc1nccc2c(-c3cc(-c4cc(F)ccc4F)nc4ncccc34)cccc12.Nc1nccc2c(-c3cc(-c4ccccc4F)nc4ncccc34)cccc12 |
| InChI | InChI=1S/C23H14F2N4.C23H15FN4.C22H13ClFN5.C21H11ClFN3O/c24-13-6-7-20(25)19(11-13)21-12-18(17-5-2-9-28-23(17)29-21)14-3-1-4-16-15(14)8-10-27-22(16)26;24-20-9-2-1-5-18(20)21-13-19(17-8-4-11-27-23(17)28-21)14-6-3-7-16-15(14)10-12-26-22(16)25;23-12-3-4-18(24)17(10-12)19-11-16(15-2-1-7-28-22(15)29-19)20-13-5-9-27-21(25)14(13)6-8-26-20;22-12-3-4-18(23)16(8-12)19-9-15(14-2-1-6-25-21(14)26-19)17-11-27-20-10-24-7-5-13(17)20/h1-12H,(H2,26,27);1-13H,(H2,25,26);1-11H,(H2,25,27);1-11H |
| InChIKey | NCEXCVZGNNJQQF-UHFFFAOYSA-N |
| XLogP | 21.78 |
| TPSA | 258.77 Ų |
| H-Bond Donors | 3 |
| H-Bond Acceptors | 17 |
| Rotatable Bonds | 8 |
| Heavy Atoms | 113 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1528.41 |
| LogP ≤ 5 | 21.78 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 17 |
Frequently Asked Questions
What is the IUPAC name of 3-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]furo[2,3-c]pyridine;5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,6-naphthyridin-1-amine;5-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-1-amine;5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-1-amine?
The IUPAC name of 3-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]furo[2,3-c]pyridine;5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,6-naphthyridin-1-amine;5-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-1-amine;5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-1-amine (CID 159738974) is 3-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]furo[2,3-c]pyridine;5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,6-naphthyridin-1-amine;5-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-1-amine;5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-1-amine.
What is the SMILES notation for 3-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]furo[2,3-c]pyridine;5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,6-naphthyridin-1-amine;5-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-1-amine;5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-1-amine?
The canonical SMILES for 3-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]furo[2,3-c]pyridine;5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,6-naphthyridin-1-amine;5-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-1-amine;5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-1-amine is Fc1ccc(Cl)cc1-c1cc(-c2coc3cnccc23)c2cccnc2n1.Nc1nccc2c(-c3cc(-c4cc(Cl)ccc4F)nc4ncccc34)nccc12.Nc1nccc2c(-c3cc(-c4cc(F)ccc4F)nc4ncccc34)cccc12.Nc1nccc2c(-c3cc(-c4ccccc4F)nc4ncccc34)cccc12.
What is the InChIKey of 3-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]furo[2,3-c]pyridine;5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,6-naphthyridin-1-amine;5-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-1-amine;5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-1-amine?
The InChIKey is NCEXCVZGNNJQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14F2N4.C23H15FN4.C22H13ClFN5.C21H11ClFN3O/c24-13-6-7-20(25)19(11-13)21-12-18(17-5-2-9-28-23(17)29-21)14-3-1-4-16-15(14)8-10-27-22(16)26;24-20-9-2-1-5-18(20)21-13-19(17-8-4-11-27-23(17)28-21)14-6-3-7-16-15(14)10-12-26-22(16)25;23-12-3-4-18(24)17(10-12)19-11-16(15-2-1-7-28-22(15)29-19)20-13-5-9-27-21(25)14(13)6-8-26-20;22-12-3-4-18(23)16(8-12)19-9-15(14-2-1-6-25-21(14)26-19)17-11-27-20-10-24-7-5-13(17)20/h1-12H,(H2,26,27);1-13H,(H2,25,26);1-11H,(H2,25,27);1-11H.
What are the key properties of 3-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]furo[2,3-c]pyridine;5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,6-naphthyridin-1-amine;5-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-1-amine;5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-1-amine?
3-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]furo[2,3-c]pyridine;5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,6-naphthyridin-1-amine;5-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-1-amine;5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-1-amine has a molecular weight of 1528.41 g/mol, XLogP of 21.78, 8 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]furo[2,3-c]pyridine;5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,6-naphthyridin-1-amine;5-[2-(2,5-difluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-1-amine;5-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]isoquinolin-1-amine is sourced from PubChem (CID 159738974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 159738974 — identifiers, structure, computed properties (public domain)
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