2-chloro-3-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-methoxyimidazo[1,2-a]pyridin-2-yl]-4-fluorophenol;2-[2,6-difluoro-3-(fluoromethoxy)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxyimidazo[1,2-a]pyridin-3-amine;2-[2,6-difluoro-4-(fluoromethoxy)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxyimidazo[1,2-a]pyridin-3-amine;3-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-methoxyimidazo[1,2-a]pyridin-2-yl]-2,4-difluorophenol;2-[4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-methoxyimidazo[1,2-a]pyridin-2-yl]-3,5-dimethylphenoxy]ethanol
C116H97ClF9N15O21 — CID 157411869
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC2-chloro-3-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-methoxyimidazo[1,2-a]pyridin-2-yl]-4-fluorophenol;2-[2,6-difluoro-3-(fluoromethoxy)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxyimidazo[1,2-a]pyridin-3-amine;2-[2,6-difluoro-4-(fluoromethoxy)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxyimidazo[1,2-a]pyridin-3-amine;3-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-methoxyimidazo[1,2-a]pyridin-2-yl]-2,4-difluorophenol;2-[4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-methoxyimidazo[1,2-a]pyridin-2-yl]-3,5-dimethylphenoxy]ethanol
SMILESCOc1cccc2nc(-c3c(C)cc(OCCO)cc3C)c(Nc3ccc4c(c3)OCCO4)n12.COc1cccc2nc(-c3c(F)cc(OCF)cc3F)c(Nc3ccc4c(c3)OCCO4)n12.COc1cccc2nc(-c3c(F)ccc(O)c3Cl)c(Nc3ccc4c(c3)OCCO4)n12.COc1cccc2nc(-c3c(F)ccc(O)c3F)c(Nc3ccc4c(c3)OCCO4)n12.COc1cccc2nc(-c3c(F)ccc(OCF)c3F)c(Nc3ccc4c(c3)OCCO4)n12
InChIInChI=1S/C26H27N3O5.2C23H18F3N3O4.C22H17ClFN3O4.C22H17F2N3O4/c1-16-13-19(32-10-9-30)14-17(2)24(16)25-26(29-22(28-25)5-4-6-23(29)31-3)27-18-7-8-20-21(15-18)34-12-11-33-20;1-30-19-4-2-3-18-28-22(20-14(25)6-8-16(21(20)26)33-12-24)23(29(18)19)27-13-5-7-15-17(11-13)32-10-9-31-15;1-30-20-4-2-3-19-28-22(21-15(25)10-14(33-12-24)11-16(21)26)23(29(19)20)27-13-5-6-17-18(9-13)32-8-7-31-17;1-29-18-4-2-3-17-26-21(19-13(24)6-7-14(28)20(19)23)22(27(17)18)25-12-5-8-15-16(11-12)31-10-9-30-15;1-29-18-4-2-3-17-26-21(19-13(23)6-7-14(28)20(19)24)22(27(17)18)25-12-5-8-15-16(11-12)31-10-9-30-15/h4-8,13-15,27,30H,9-12H2,1-3H3;2-8,11,27H,9-10,12H2,1H3;2-6,9-11,27H,7-8,12H2,1H3;2*2-8,11,25,28H,9-10H2,1H3
InChIKeyBOJNVRDQTHNOEC-UHFFFAOYSA-N
MW2243.57 g/mol
LogP24.26
Rot. Bonds27
About 2-chloro-3-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-methoxyimidazo[1,2-a]pyridin-2-yl]-4-fluorophenol;2-[2,6-difluoro-3-(fluoromethoxy)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxyimidazo[1,2-a]pyridin-3-amine;2-[2,6-difluoro-4-(fluoromethoxy)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxyimidazo[1,2-a]pyridin-3-amine;3-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-methoxyimidazo[1,2-a]pyridin-2-yl]-2,4-difluorophenol;2-[4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-methoxyimidazo[1,2-a]pyridin-2-yl]-3,5-dimethylphenoxy]ethanol
2-chloro-3-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-methoxyimidazo[1,2-a]pyridin-2-yl]-4-fluorophenol;2-[2,6-difluoro-3-(fluoromethoxy)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxyimidazo[1,2-a]pyridin-3-amine;2-[2,6-difluoro-4-(fluoromethoxy)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxyimidazo[1,2-a]pyridin-3-amine;3-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-methoxyimidazo[1,2-a]pyridin-2-yl]-2,4-difluorophenol;2-[4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-methoxyimidazo[1,2-a]pyridin-2-yl]-3,5-dimethylphenoxy]ethanol (PubChem CID 157411869) has the molecular formula C116H97ClF9N15O21 and a molecular weight of 2243.57 g/mol. Its IUPAC name is 2-chloro-3-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-methoxyimidazo[1,2-a]pyridin-2-yl]-4-fluorophenol;2-[2,6-difluoro-3-(fluoromethoxy)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxyimidazo[1,2-a]pyridin-3-amine;2-[2,6-difluoro-4-(fluoromethoxy)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxyimidazo[1,2-a]pyridin-3-amine;3-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-methoxyimidazo[1,2-a]pyridin-2-yl]-2,4-difluorophenol;2-[4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-methoxyimidazo[1,2-a]pyridin-2-yl]-3,5-dimethylphenoxy]ethanol.
Molecular Properties
| Compound Name | 2-chloro-3-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-methoxyimidazo[1,2-a]pyridin-2-yl]-4-fluorophenol;2-[2,6-difluoro-3-(fluoromethoxy)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxyimidazo[1,2-a]pyridin-3-amine;2-[2,6-difluoro-4-(fluoromethoxy)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxyimidazo[1,2-a]pyridin-3-amine;3-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-methoxyimidazo[1,2-a]pyridin-2-yl]-2,4-difluorophenol;2-[4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-methoxyimidazo[1,2-a]pyridin-2-yl]-3,5-dimethylphenoxy]ethanol |
|---|---|
| PubChem CID | 157411869 |
| Molecular Formula | C116H97ClF9N15O21 |
| Molecular Weight | 2243.57 g/mol |
| Exact Mass | 2241.65 |
| IUPAC Name | 2-chloro-3-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-methoxyimidazo[1,2-a]pyridin-2-yl]-4-fluorophenol;2-[2,6-difluoro-3-(fluoromethoxy)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxyimidazo[1,2-a]pyridin-3-amine;2-[2,6-difluoro-4-(fluoromethoxy)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxyimidazo[1,2-a]pyridin-3-amine;3-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-methoxyimidazo[1,2-a]pyridin-2-yl]-2,4-difluorophenol;2-[4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-methoxyimidazo[1,2-a]pyridin-2-yl]-3,5-dimethylphenoxy]ethanol |
| SMILES | COc1cccc2nc(-c3c(C)cc(OCCO)cc3C)c(Nc3ccc4c(c3)OCCO4)n12.COc1cccc2nc(-c3c(F)cc(OCF)cc3F)c(Nc3ccc4c(c3)OCCO4)n12.COc1cccc2nc(-c3c(F)ccc(O)c3Cl)c(Nc3ccc4c(c3)OCCO4)n12.COc1cccc2nc(-c3c(F)ccc(O)c3F)c(Nc3ccc4c(c3)OCCO4)n12.COc1cccc2nc(-c3c(F)ccc(OCF)c3F)c(Nc3ccc4c(c3)OCCO4)n12 |
| InChI | InChI=1S/C26H27N3O5.2C23H18F3N3O4.C22H17ClFN3O4.C22H17F2N3O4/c1-16-13-19(32-10-9-30)14-17(2)24(16)25-26(29-22(28-25)5-4-6-23(29)31-3)27-18-7-8-20-21(15-18)34-12-11-33-20;1-30-19-4-2-3-18-28-22(20-14(25)6-8-16(21(20)26)33-12-24)23(29(18)19)27-13-5-7-15-17(11-13)32-10-9-31-15;1-30-20-4-2-3-19-28-22(21-15(25)10-14(33-12-24)11-16(21)26)23(29(19)20)27-13-5-6-17-18(9-13)32-8-7-31-17;1-29-18-4-2-3-17-26-21(19-13(24)6-7-14(28)20(19)23)22(27(17)18)25-12-5-8-15-16(11-12)31-10-9-30-15;1-29-18-4-2-3-17-26-21(19-13(23)6-7-14(28)20(19)24)22(27(17)18)25-12-5-8-15-16(11-12)31-10-9-30-15/h4-8,13-15,27,30H,9-12H2,1-3H3;2-8,11,27H,9-10,12H2,1H3;2-6,9-11,27H,7-8,12H2,1H3;2*2-8,11,25,28H,9-10H2,1H3 |
| InChIKey | BOJNVRDQTHNOEC-UHFFFAOYSA-N |
| XLogP | 24.26 |
| TPSA | 373.48 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 36 |
| Rotatable Bonds | 27 |
| Heavy Atoms | 162 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2243.57 |
| LogP ≤ 5 | 24.26 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 36 |
Frequently Asked Questions
What is the IUPAC name of 2-chloro-3-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-methoxyimidazo[1,2-a]pyridin-2-yl]-4-fluorophenol;2-[2,6-difluoro-3-(fluoromethoxy)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxyimidazo[1,2-a]pyridin-3-amine;2-[2,6-difluoro-4-(fluoromethoxy)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxyimidazo[1,2-a]pyridin-3-amine;3-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-methoxyimidazo[1,2-a]pyridin-2-yl]-2,4-difluorophenol;2-[4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-methoxyimidazo[1,2-a]pyridin-2-yl]-3,5-dimethylphenoxy]ethanol?
The IUPAC name of 2-chloro-3-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-methoxyimidazo[1,2-a]pyridin-2-yl]-4-fluorophenol;2-[2,6-difluoro-3-(fluoromethoxy)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxyimidazo[1,2-a]pyridin-3-amine;2-[2,6-difluoro-4-(fluoromethoxy)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxyimidazo[1,2-a]pyridin-3-amine;3-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-methoxyimidazo[1,2-a]pyridin-2-yl]-2,4-difluorophenol;2-[4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-methoxyimidazo[1,2-a]pyridin-2-yl]-3,5-dimethylphenoxy]ethanol (CID 157411869) is 2-chloro-3-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-methoxyimidazo[1,2-a]pyridin-2-yl]-4-fluorophenol;2-[2,6-difluoro-3-(fluoromethoxy)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxyimidazo[1,2-a]pyridin-3-amine;2-[2,6-difluoro-4-(fluoromethoxy)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxyimidazo[1,2-a]pyridin-3-amine;3-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-methoxyimidazo[1,2-a]pyridin-2-yl]-2,4-difluorophenol;2-[4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-methoxyimidazo[1,2-a]pyridin-2-yl]-3,5-dimethylphenoxy]ethanol.
What is the SMILES notation for 2-chloro-3-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-methoxyimidazo[1,2-a]pyridin-2-yl]-4-fluorophenol;2-[2,6-difluoro-3-(fluoromethoxy)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxyimidazo[1,2-a]pyridin-3-amine;2-[2,6-difluoro-4-(fluoromethoxy)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxyimidazo[1,2-a]pyridin-3-amine;3-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-methoxyimidazo[1,2-a]pyridin-2-yl]-2,4-difluorophenol;2-[4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-methoxyimidazo[1,2-a]pyridin-2-yl]-3,5-dimethylphenoxy]ethanol?
The canonical SMILES for 2-chloro-3-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-methoxyimidazo[1,2-a]pyridin-2-yl]-4-fluorophenol;2-[2,6-difluoro-3-(fluoromethoxy)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxyimidazo[1,2-a]pyridin-3-amine;2-[2,6-difluoro-4-(fluoromethoxy)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxyimidazo[1,2-a]pyridin-3-amine;3-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-methoxyimidazo[1,2-a]pyridin-2-yl]-2,4-difluorophenol;2-[4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-methoxyimidazo[1,2-a]pyridin-2-yl]-3,5-dimethylphenoxy]ethanol is COc1cccc2nc(-c3c(C)cc(OCCO)cc3C)c(Nc3ccc4c(c3)OCCO4)n12.COc1cccc2nc(-c3c(F)cc(OCF)cc3F)c(Nc3ccc4c(c3)OCCO4)n12.COc1cccc2nc(-c3c(F)ccc(O)c3Cl)c(Nc3ccc4c(c3)OCCO4)n12.COc1cccc2nc(-c3c(F)ccc(O)c3F)c(Nc3ccc4c(c3)OCCO4)n12.COc1cccc2nc(-c3c(F)ccc(OCF)c3F)c(Nc3ccc4c(c3)OCCO4)n12.
What is the InChIKey of 2-chloro-3-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-methoxyimidazo[1,2-a]pyridin-2-yl]-4-fluorophenol;2-[2,6-difluoro-3-(fluoromethoxy)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxyimidazo[1,2-a]pyridin-3-amine;2-[2,6-difluoro-4-(fluoromethoxy)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxyimidazo[1,2-a]pyridin-3-amine;3-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-methoxyimidazo[1,2-a]pyridin-2-yl]-2,4-difluorophenol;2-[4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-methoxyimidazo[1,2-a]pyridin-2-yl]-3,5-dimethylphenoxy]ethanol?
The InChIKey is BOJNVRDQTHNOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O5.2C23H18F3N3O4.C22H17ClFN3O4.C22H17F2N3O4/c1-16-13-19(32-10-9-30)14-17(2)24(16)25-26(29-22(28-25)5-4-6-23(29)31-3)27-18-7-8-20-21(15-18)34-12-11-33-20;1-30-19-4-2-3-18-28-22(20-14(25)6-8-16(21(20)26)33-12-24)23(29(18)19)27-13-5-7-15-17(11-13)32-10-9-31-15;1-30-20-4-2-3-19-28-22(21-15(25)10-14(33-12-24)11-16(21)26)23(29(19)20)27-13-5-6-17-18(9-13)32-8-7-31-17;1-29-18-4-2-3-17-26-21(19-13(24)6-7-14(28)20(19)23)22(27(17)18)25-12-5-8-15-16(11-12)31-10-9-30-15;1-29-18-4-2-3-17-26-21(19-13(23)6-7-14(28)20(19)24)22(27(17)18)25-12-5-8-15-16(11-12)31-10-9-30-15/h4-8,13-15,27,30H,9-12H2,1-3H3;2-8,11,27H,9-10,12H2,1H3;2-6,9-11,27H,7-8,12H2,1H3;2*2-8,11,25,28H,9-10H2,1H3.
What are the key properties of 2-chloro-3-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-methoxyimidazo[1,2-a]pyridin-2-yl]-4-fluorophenol;2-[2,6-difluoro-3-(fluoromethoxy)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxyimidazo[1,2-a]pyridin-3-amine;2-[2,6-difluoro-4-(fluoromethoxy)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxyimidazo[1,2-a]pyridin-3-amine;3-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-methoxyimidazo[1,2-a]pyridin-2-yl]-2,4-difluorophenol;2-[4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-methoxyimidazo[1,2-a]pyridin-2-yl]-3,5-dimethylphenoxy]ethanol?
2-chloro-3-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-methoxyimidazo[1,2-a]pyridin-2-yl]-4-fluorophenol;2-[2,6-difluoro-3-(fluoromethoxy)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxyimidazo[1,2-a]pyridin-3-amine;2-[2,6-difluoro-4-(fluoromethoxy)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxyimidazo[1,2-a]pyridin-3-amine;3-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-methoxyimidazo[1,2-a]pyridin-2-yl]-2,4-difluorophenol;2-[4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-methoxyimidazo[1,2-a]pyridin-2-yl]-3,5-dimethylphenoxy]ethanol has a molecular weight of 2243.57 g/mol, XLogP of 24.26, 27 rotatable bonds, 8 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-methoxyimidazo[1,2-a]pyridin-2-yl]-4-fluorophenol;2-[2,6-difluoro-3-(fluoromethoxy)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxyimidazo[1,2-a]pyridin-3-amine;2-[2,6-difluoro-4-(fluoromethoxy)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxyimidazo[1,2-a]pyridin-3-amine;3-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-methoxyimidazo[1,2-a]pyridin-2-yl]-2,4-difluorophenol;2-[4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-methoxyimidazo[1,2-a]pyridin-2-yl]-3,5-dimethylphenoxy]ethanol is sourced from PubChem (CID 157411869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 157411869 — identifiers, structure, computed properties (public domain)
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