5-(5,5-difluoro-1-methylazepan-4-yl)oxy-N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)quinazolin-4-amine;5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-[4-[(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)oxy]-3-methylphenyl]-6-methoxyquinazolin-4-amine;5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-[4-[(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)oxy]-3-methylphenyl]-7-methoxyquinazolin-4-amine;5-[3,3-difluoro-1-(trideuteriomethyl)piperidin-4-yl]oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-5-[1-(trideuteriomethyl)-2-(trifluoromethyl)piperidin-4-yl]oxyquinazolin-4-amine
C169H160F13N41O14 — CID 159529857
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC5-(5,5-difluoro-1-methylazepan-4-yl)oxy-N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)quinazolin-4-amine;5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-[4-[(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)oxy]-3-methylphenyl]-6-methoxyquinazolin-4-amine;5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-[4-[(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)oxy]-3-methylphenyl]-7-methoxyquinazolin-4-amine;5-[3,3-difluoro-1-(trideuteriomethyl)piperidin-4-yl]oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-5-[1-(trideuteriomethyl)-2-(trifluoromethyl)piperidin-4-yl]oxyquinazolin-4-amine
SMILESCOc1cc(OC2CCN(C)CC2(F)F)c2c(Nc3ccc(Oc4cc5ncnn5cc4F)c(C)c3)ncnc2c1.COc1ccc2ncnc(Nc3ccc(Oc4cc5ncnn5cc4F)c(C)c3)c2c1OC1CCN(C)CC1(F)F.Cc1cc(Nc2ncnc3cccc(OC4CC5CCC(C4)N5C)c23)ccc1Oc1ccn2ncnc2c1.Cc1cc(Nc2ncnc3cccc(OC4CCN(C)CCC4(F)F)c23)ccc1Oc1ccn2ccnc2c1.[2H]C([2H])([2H])N1CCC(Oc2cccc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4)c23)C(F)(F)C1.[2H]C([2H])([2H])N1CCC(Oc2cccc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4)c23)CC1C(F)(F)F
InChIInChI=1S/C29H28F2N6O2.C29H29N7O2.2C28H26F3N7O3.C28H26F3N7O2.C27H25F2N7O2/c1-19-16-20(6-7-23(19)38-21-8-13-37-15-11-32-26(37)17-21)35-28-27-22(33-18-34-28)4-3-5-24(27)39-25-9-12-36(2)14-10-29(25,30)31;1-18-12-19(6-9-25(18)37-22-10-11-36-27(15-22)31-17-33-36)34-29-28-24(30-16-32-29)4-3-5-26(28)38-23-13-20-7-8-21(14-23)35(20)2;1-16-10-17(4-6-20(16)40-22-11-24-33-15-35-38(24)12-18(22)29)36-27-25-19(32-14-34-27)5-7-21(39-3)26(25)41-23-8-9-37(2)13-28(23,30)31;1-16-8-17(4-5-21(16)40-22-11-25-33-15-35-38(25)12-19(22)29)36-27-26-20(32-14-34-27)9-18(39-3)10-23(26)41-24-6-7-37(2)13-28(24,30)31;1-17-12-18(6-7-22(17)39-20-9-11-38-25(14-20)33-16-35-38)36-27-26-21(32-15-34-27)4-3-5-23(26)40-19-8-10-37(2)24(13-19)28(29,30)31;1-17-12-18(6-7-21(17)37-19-8-11-36-24(13-19)31-16-33-36)34-26-25-20(30-15-32-26)4-3-5-22(25)38-23-9-10-35(2)14-27(23,28)29/h3-8,11,13,15-18,25H,9-10,12,14H2,1-2H3,(H,33,34,35);3-6,9-12,15-17,20-21,23H,7-8,13-14H2,1-2H3,(H,30,32,34);4-7,10-12,14-15,23H,8-9,13H2,1-3H3,(H,32,34,36);4-5,8-12,14-15,24H,6-7,13H2,1-3H3,(H,32,34,36);3-7,9,11-12,14-16,19,24H,8,10,13H2,1-2H3,(H,32,34,36);3-8,11-13,15-16,23H,9-10,14H2,1-2H3,(H,30,32,34)/i;;;;2*2D3
InChIKeyMCVWNXQWNUGGDQ-RTENLJGMSA-N
MW3242.42 g/mol
LogP33.67
Rot. Bonds40
About 5-(5,5-difluoro-1-methylazepan-4-yl)oxy-N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)quinazolin-4-amine;5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-[4-[(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)oxy]-3-methylphenyl]-6-methoxyquinazolin-4-amine;5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-[4-[(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)oxy]-3-methylphenyl]-7-methoxyquinazolin-4-amine;5-[3,3-difluoro-1-(trideuteriomethyl)piperidin-4-yl]oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-5-[1-(trideuteriomethyl)-2-(trifluoromethyl)piperidin-4-yl]oxyquinazolin-4-amine
5-(5,5-difluoro-1-methylazepan-4-yl)oxy-N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)quinazolin-4-amine;5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-[4-[(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)oxy]-3-methylphenyl]-6-methoxyquinazolin-4-amine;5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-[4-[(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)oxy]-3-methylphenyl]-7-methoxyquinazolin-4-amine;5-[3,3-difluoro-1-(trideuteriomethyl)piperidin-4-yl]oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-5-[1-(trideuteriomethyl)-2-(trifluoromethyl)piperidin-4-yl]oxyquinazolin-4-amine (PubChem CID 159529857) has the molecular formula C169H160F13N41O14 and a molecular weight of 3242.42 g/mol. Its IUPAC name is 5-(5,5-difluoro-1-methylazepan-4-yl)oxy-N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)quinazolin-4-amine;5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-[4-[(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)oxy]-3-methylphenyl]-6-methoxyquinazolin-4-amine;5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-[4-[(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)oxy]-3-methylphenyl]-7-methoxyquinazolin-4-amine;5-[3,3-difluoro-1-(trideuteriomethyl)piperidin-4-yl]oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-5-[1-(trideuteriomethyl)-2-(trifluoromethyl)piperidin-4-yl]oxyquinazolin-4-amine.
Molecular Properties
| Compound Name | 5-(5,5-difluoro-1-methylazepan-4-yl)oxy-N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)quinazolin-4-amine;5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-[4-[(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)oxy]-3-methylphenyl]-6-methoxyquinazolin-4-amine;5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-[4-[(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)oxy]-3-methylphenyl]-7-methoxyquinazolin-4-amine;5-[3,3-difluoro-1-(trideuteriomethyl)piperidin-4-yl]oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-5-[1-(trideuteriomethyl)-2-(trifluoromethyl)piperidin-4-yl]oxyquinazolin-4-amine |
|---|---|
| PubChem CID | 159529857 |
| Molecular Formula | C169H160F13N41O14 |
| Molecular Weight | 3242.42 g/mol |
| Exact Mass | 3240.32 |
| IUPAC Name | 5-(5,5-difluoro-1-methylazepan-4-yl)oxy-N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)quinazolin-4-amine;5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-[4-[(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)oxy]-3-methylphenyl]-6-methoxyquinazolin-4-amine;5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-[4-[(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)oxy]-3-methylphenyl]-7-methoxyquinazolin-4-amine;5-[3,3-difluoro-1-(trideuteriomethyl)piperidin-4-yl]oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-5-[1-(trideuteriomethyl)-2-(trifluoromethyl)piperidin-4-yl]oxyquinazolin-4-amine |
| SMILES | COc1cc(OC2CCN(C)CC2(F)F)c2c(Nc3ccc(Oc4cc5ncnn5cc4F)c(C)c3)ncnc2c1.COc1ccc2ncnc(Nc3ccc(Oc4cc5ncnn5cc4F)c(C)c3)c2c1OC1CCN(C)CC1(F)F.Cc1cc(Nc2ncnc3cccc(OC4CC5CCC(C4)N5C)c23)ccc1Oc1ccn2ncnc2c1.Cc1cc(Nc2ncnc3cccc(OC4CCN(C)CCC4(F)F)c23)ccc1Oc1ccn2ccnc2c1.[2H]C([2H])([2H])N1CCC(Oc2cccc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4)c23)C(F)(F)C1.[2H]C([2H])([2H])N1CCC(Oc2cccc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4)c23)CC1C(F)(F)F |
| InChI | InChI=1S/C29H28F2N6O2.C29H29N7O2.2C28H26F3N7O3.C28H26F3N7O2.C27H25F2N7O2/c1-19-16-20(6-7-23(19)38-21-8-13-37-15-11-32-26(37)17-21)35-28-27-22(33-18-34-28)4-3-5-24(27)39-25-9-12-36(2)14-10-29(25,30)31;1-18-12-19(6-9-25(18)37-22-10-11-36-27(15-22)31-17-33-36)34-29-28-24(30-16-32-29)4-3-5-26(28)38-23-13-20-7-8-21(14-23)35(20)2;1-16-10-17(4-6-20(16)40-22-11-24-33-15-35-38(24)12-18(22)29)36-27-25-19(32-14-34-27)5-7-21(39-3)26(25)41-23-8-9-37(2)13-28(23,30)31;1-16-8-17(4-5-21(16)40-22-11-25-33-15-35-38(25)12-19(22)29)36-27-26-20(32-14-34-27)9-18(39-3)10-23(26)41-24-6-7-37(2)13-28(24,30)31;1-17-12-18(6-7-22(17)39-20-9-11-38-25(14-20)33-16-35-38)36-27-26-21(32-15-34-27)4-3-5-23(26)40-19-8-10-37(2)24(13-19)28(29,30)31;1-17-12-18(6-7-21(17)37-19-8-11-36-24(13-19)31-16-33-36)34-26-25-20(30-15-32-26)4-3-5-22(25)38-23-9-10-35(2)14-27(23,28)29/h3-8,11,13,15-18,25H,9-10,12,14H2,1-2H3,(H,33,34,35);3-6,9-12,15-17,20-21,23H,7-8,13-14H2,1-2H3,(H,30,32,34);4-7,10-12,14-15,23H,8-9,13H2,1-3H3,(H,32,34,36);4-5,8-12,14-15,24H,6-7,13H2,1-3H3,(H,32,34,36);3-7,9,11-12,14-16,19,24H,8,10,13H2,1-2H3,(H,32,34,36);3-8,11-13,15-16,23H,9-10,14H2,1-2H3,(H,30,32,34)/i;;;;2*2D3 |
| InChIKey | MCVWNXQWNUGGDQ-RTENLJGMSA-N |
| XLogP | 33.67 |
| TPSA | 543.77 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 55 |
| Rotatable Bonds | 40 |
| Heavy Atoms | 237 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3242.42 |
| LogP ≤ 5 | 33.67 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 55 |
Frequently Asked Questions
What is the IUPAC name of 5-(5,5-difluoro-1-methylazepan-4-yl)oxy-N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)quinazolin-4-amine;5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-[4-[(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)oxy]-3-methylphenyl]-6-methoxyquinazolin-4-amine;5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-[4-[(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)oxy]-3-methylphenyl]-7-methoxyquinazolin-4-amine;5-[3,3-difluoro-1-(trideuteriomethyl)piperidin-4-yl]oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-5-[1-(trideuteriomethyl)-2-(trifluoromethyl)piperidin-4-yl]oxyquinazolin-4-amine?
The IUPAC name of 5-(5,5-difluoro-1-methylazepan-4-yl)oxy-N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)quinazolin-4-amine;5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-[4-[(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)oxy]-3-methylphenyl]-6-methoxyquinazolin-4-amine;5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-[4-[(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)oxy]-3-methylphenyl]-7-methoxyquinazolin-4-amine;5-[3,3-difluoro-1-(trideuteriomethyl)piperidin-4-yl]oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-5-[1-(trideuteriomethyl)-2-(trifluoromethyl)piperidin-4-yl]oxyquinazolin-4-amine (CID 159529857) is 5-(5,5-difluoro-1-methylazepan-4-yl)oxy-N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)quinazolin-4-amine;5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-[4-[(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)oxy]-3-methylphenyl]-6-methoxyquinazolin-4-amine;5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-[4-[(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)oxy]-3-methylphenyl]-7-methoxyquinazolin-4-amine;5-[3,3-difluoro-1-(trideuteriomethyl)piperidin-4-yl]oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-5-[1-(trideuteriomethyl)-2-(trifluoromethyl)piperidin-4-yl]oxyquinazolin-4-amine.
What is the SMILES notation for 5-(5,5-difluoro-1-methylazepan-4-yl)oxy-N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)quinazolin-4-amine;5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-[4-[(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)oxy]-3-methylphenyl]-6-methoxyquinazolin-4-amine;5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-[4-[(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)oxy]-3-methylphenyl]-7-methoxyquinazolin-4-amine;5-[3,3-difluoro-1-(trideuteriomethyl)piperidin-4-yl]oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-5-[1-(trideuteriomethyl)-2-(trifluoromethyl)piperidin-4-yl]oxyquinazolin-4-amine?
The canonical SMILES for 5-(5,5-difluoro-1-methylazepan-4-yl)oxy-N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)quinazolin-4-amine;5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-[4-[(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)oxy]-3-methylphenyl]-6-methoxyquinazolin-4-amine;5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-[4-[(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)oxy]-3-methylphenyl]-7-methoxyquinazolin-4-amine;5-[3,3-difluoro-1-(trideuteriomethyl)piperidin-4-yl]oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-5-[1-(trideuteriomethyl)-2-(trifluoromethyl)piperidin-4-yl]oxyquinazolin-4-amine is COc1cc(OC2CCN(C)CC2(F)F)c2c(Nc3ccc(Oc4cc5ncnn5cc4F)c(C)c3)ncnc2c1.COc1ccc2ncnc(Nc3ccc(Oc4cc5ncnn5cc4F)c(C)c3)c2c1OC1CCN(C)CC1(F)F.Cc1cc(Nc2ncnc3cccc(OC4CC5CCC(C4)N5C)c23)ccc1Oc1ccn2ncnc2c1.Cc1cc(Nc2ncnc3cccc(OC4CCN(C)CCC4(F)F)c23)ccc1Oc1ccn2ccnc2c1.[2H]C([2H])([2H])N1CCC(Oc2cccc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4)c23)C(F)(F)C1.[2H]C([2H])([2H])N1CCC(Oc2cccc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4)c23)CC1C(F)(F)F.
What is the InChIKey of 5-(5,5-difluoro-1-methylazepan-4-yl)oxy-N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)quinazolin-4-amine;5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-[4-[(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)oxy]-3-methylphenyl]-6-methoxyquinazolin-4-amine;5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-[4-[(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)oxy]-3-methylphenyl]-7-methoxyquinazolin-4-amine;5-[3,3-difluoro-1-(trideuteriomethyl)piperidin-4-yl]oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-5-[1-(trideuteriomethyl)-2-(trifluoromethyl)piperidin-4-yl]oxyquinazolin-4-amine?
The InChIKey is MCVWNXQWNUGGDQ-RTENLJGMSA-N. The full InChI is InChI=1S/C29H28F2N6O2.C29H29N7O2.2C28H26F3N7O3.C28H26F3N7O2.C27H25F2N7O2/c1-19-16-20(6-7-23(19)38-21-8-13-37-15-11-32-26(37)17-21)35-28-27-22(33-18-34-28)4-3-5-24(27)39-25-9-12-36(2)14-10-29(25,30)31;1-18-12-19(6-9-25(18)37-22-10-11-36-27(15-22)31-17-33-36)34-29-28-24(30-16-32-29)4-3-5-26(28)38-23-13-20-7-8-21(14-23)35(20)2;1-16-10-17(4-6-20(16)40-22-11-24-33-15-35-38(24)12-18(22)29)36-27-25-19(32-14-34-27)5-7-21(39-3)26(25)41-23-8-9-37(2)13-28(23,30)31;1-16-8-17(4-5-21(16)40-22-11-25-33-15-35-38(25)12-19(22)29)36-27-26-20(32-14-34-27)9-18(39-3)10-23(26)41-24-6-7-37(2)13-28(24,30)31;1-17-12-18(6-7-22(17)39-20-9-11-38-25(14-20)33-16-35-38)36-27-26-21(32-15-34-27)4-3-5-23(26)40-19-8-10-37(2)24(13-19)28(29,30)31;1-17-12-18(6-7-21(17)37-19-8-11-36-24(13-19)31-16-33-36)34-26-25-20(30-15-32-26)4-3-5-22(25)38-23-9-10-35(2)14-27(23,28)29/h3-8,11,13,15-18,25H,9-10,12,14H2,1-2H3,(H,33,34,35);3-6,9-12,15-17,20-21,23H,7-8,13-14H2,1-2H3,(H,30,32,34);4-7,10-12,14-15,23H,8-9,13H2,1-3H3,(H,32,34,36);4-5,8-12,14-15,24H,6-7,13H2,1-3H3,(H,32,34,36);3-7,9,11-12,14-16,19,24H,8,10,13H2,1-2H3,(H,32,34,36);3-8,11-13,15-16,23H,9-10,14H2,1-2H3,(H,30,32,34)/i;;;;2*2D3.
What are the key properties of 5-(5,5-difluoro-1-methylazepan-4-yl)oxy-N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)quinazolin-4-amine;5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-[4-[(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)oxy]-3-methylphenyl]-6-methoxyquinazolin-4-amine;5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-[4-[(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)oxy]-3-methylphenyl]-7-methoxyquinazolin-4-amine;5-[3,3-difluoro-1-(trideuteriomethyl)piperidin-4-yl]oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-5-[1-(trideuteriomethyl)-2-(trifluoromethyl)piperidin-4-yl]oxyquinazolin-4-amine?
5-(5,5-difluoro-1-methylazepan-4-yl)oxy-N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)quinazolin-4-amine;5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-[4-[(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)oxy]-3-methylphenyl]-6-methoxyquinazolin-4-amine;5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-[4-[(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)oxy]-3-methylphenyl]-7-methoxyquinazolin-4-amine;5-[3,3-difluoro-1-(trideuteriomethyl)piperidin-4-yl]oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-5-[1-(trideuteriomethyl)-2-(trifluoromethyl)piperidin-4-yl]oxyquinazolin-4-amine has a molecular weight of 3242.42 g/mol, XLogP of 33.67, 40 rotatable bonds, 6 hydrogen bond donors, and 55 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5,5-difluoro-1-methylazepan-4-yl)oxy-N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)quinazolin-4-amine;5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-[4-[(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)oxy]-3-methylphenyl]-6-methoxyquinazolin-4-amine;5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-[4-[(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)oxy]-3-methylphenyl]-7-methoxyquinazolin-4-amine;5-[3,3-difluoro-1-(trideuteriomethyl)piperidin-4-yl]oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-5-[1-(trideuteriomethyl)-2-(trifluoromethyl)piperidin-4-yl]oxyquinazolin-4-amine is sourced from PubChem (CID 159529857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 159529857 — identifiers, structure, computed properties (public domain)
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