6-[(S)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-(trifluoromethyl)-1,7-naphthyridin-2-one;6-[(R)-chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-(trifluoromethyl)-1,8-naphthyridin-2-one;6-[(R)-chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,8-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-(trifluoromethyl)-1,8-naphthyridin-2-one;6-[(R)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-(trifluoromethyl)-1,8-naphthyridin-2-one;6-[(S)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-(trifluoromethyl)-1,7-naphthyridin-2-one
C163H108Cl9F16N25O8S — CID 158736894
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC6-[(S)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-(trifluoromethyl)-1,7-naphthyridin-2-one;6-[(R)-chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-(trifluoromethyl)-1,8-naphthyridin-2-one;6-[(R)-chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,8-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-(trifluoromethyl)-1,8-naphthyridin-2-one;6-[(R)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-(trifluoromethyl)-1,8-naphthyridin-2-one;6-[(S)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-(trifluoromethyl)-1,7-naphthyridin-2-one
SMILESC#Cc1cccc(-c2cc(=O)n(C(F)(F)F)c3cnc([C@](N)(c4ccc(Cl)cc4)c4cncn4C)cc23)c1.C#Cc1cccc(-c2cc(=O)n(C(F)(F)F)c3cnc([C@](O)(c4ccc(Cl)cc4)c4cncn4C)cc23)c1.C#Cc1cccc(-c2cc(=O)n(C(F)(F)F)c3ncc([C@](Cl)(c4ccc(Cl)cc4)c4cncn4C)cc23)c1.C#Cc1cccc(-c2cc(=O)n(C(F)(F)F)c3ncc([C@](F)(c4ccc(Cl)cc4)c4cncn4C)cc23)c1.Cc1ccc(-c2cc(=O)n(C)c3ncc([C@](Cl)(c4ccc(Cl)cc4)c4cncn4C)cc23)s1.Cn1cncc1[C@@](O)(c1ccc(Cl)cc1)c1cnc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C(F)(F)F
InChIInChI=1S/C28H17Cl2F3N4O.C28H17ClF4N4O.C28H19ClF3N5O.C28H18ClF3N4O2.C26H17Cl2F3N4O2.C25H20Cl2N4OS/c2*1-3-17-5-4-6-18(11-17)22-13-25(38)37(28(31,32)33)26-23(22)12-20(14-35-26)27(30,24-15-34-16-36(24)2)19-7-9-21(29)10-8-19;1-3-17-5-4-6-18(11-17)21-13-26(38)37(28(30,31)32)23-14-35-24(12-22(21)23)27(33,25-15-34-16-36(25)2)19-7-9-20(29)10-8-19;1-3-17-5-4-6-18(11-17)21-13-26(37)36(28(30,31)32)23-14-34-24(12-22(21)23)27(38,25-15-33-16-35(25)2)19-7-9-20(29)10-8-19;1-34-14-32-13-22(34)25(37,16-5-7-18(27)8-6-16)17-10-21-20(15-3-2-4-19(28)9-15)11-23(36)35(26(29,30)31)24(21)33-12-17;1-15-4-9-21(33-15)19-11-23(32)31(3)24-20(19)10-17(12-29-24)25(27,22-13-28-14-30(22)2)16-5-7-18(26)8-6-16/h2*1,4-16H,2H3;1,4-16H,33H2,2H3;1,4-16,38H,2H3;2-14,37H,1H3;4-14H,1-3H3/t4*27-;2*25-/m111111/s1
InChIKeyILUFZHXEJJSIED-DFEKAVHYSA-N
MW3199.94 g/mol
LogP34.71
Rot. Bonds24
About 6-[(S)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-(trifluoromethyl)-1,7-naphthyridin-2-one;6-[(R)-chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-(trifluoromethyl)-1,8-naphthyridin-2-one;6-[(R)-chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,8-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-(trifluoromethyl)-1,8-naphthyridin-2-one;6-[(R)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-(trifluoromethyl)-1,8-naphthyridin-2-one;6-[(S)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-(trifluoromethyl)-1,7-naphthyridin-2-one
6-[(S)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-(trifluoromethyl)-1,7-naphthyridin-2-one;6-[(R)-chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-(trifluoromethyl)-1,8-naphthyridin-2-one;6-[(R)-chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,8-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-(trifluoromethyl)-1,8-naphthyridin-2-one;6-[(R)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-(trifluoromethyl)-1,8-naphthyridin-2-one;6-[(S)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-(trifluoromethyl)-1,7-naphthyridin-2-one (PubChem CID 158736894) has the molecular formula C163H108Cl9F16N25O8S and a molecular weight of 3199.94 g/mol. Its IUPAC name is 6-[(S)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-(trifluoromethyl)-1,7-naphthyridin-2-one;6-[(R)-chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-(trifluoromethyl)-1,8-naphthyridin-2-one;6-[(R)-chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,8-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-(trifluoromethyl)-1,8-naphthyridin-2-one;6-[(R)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-(trifluoromethyl)-1,8-naphthyridin-2-one;6-[(S)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-(trifluoromethyl)-1,7-naphthyridin-2-one.
Molecular Properties
| Compound Name | 6-[(S)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-(trifluoromethyl)-1,7-naphthyridin-2-one;6-[(R)-chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-(trifluoromethyl)-1,8-naphthyridin-2-one;6-[(R)-chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,8-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-(trifluoromethyl)-1,8-naphthyridin-2-one;6-[(R)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-(trifluoromethyl)-1,8-naphthyridin-2-one;6-[(S)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-(trifluoromethyl)-1,7-naphthyridin-2-one |
|---|---|
| PubChem CID | 158736894 |
| Molecular Formula | C163H108Cl9F16N25O8S |
| Molecular Weight | 3199.94 g/mol |
| Exact Mass | 3193.55 |
| IUPAC Name | 6-[(S)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-(trifluoromethyl)-1,7-naphthyridin-2-one;6-[(R)-chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-(trifluoromethyl)-1,8-naphthyridin-2-one;6-[(R)-chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,8-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-(trifluoromethyl)-1,8-naphthyridin-2-one;6-[(R)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-(trifluoromethyl)-1,8-naphthyridin-2-one;6-[(S)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-(trifluoromethyl)-1,7-naphthyridin-2-one |
| SMILES | C#Cc1cccc(-c2cc(=O)n(C(F)(F)F)c3cnc([C@](N)(c4ccc(Cl)cc4)c4cncn4C)cc23)c1.C#Cc1cccc(-c2cc(=O)n(C(F)(F)F)c3cnc([C@](O)(c4ccc(Cl)cc4)c4cncn4C)cc23)c1.C#Cc1cccc(-c2cc(=O)n(C(F)(F)F)c3ncc([C@](Cl)(c4ccc(Cl)cc4)c4cncn4C)cc23)c1.C#Cc1cccc(-c2cc(=O)n(C(F)(F)F)c3ncc([C@](F)(c4ccc(Cl)cc4)c4cncn4C)cc23)c1.Cc1ccc(-c2cc(=O)n(C)c3ncc([C@](Cl)(c4ccc(Cl)cc4)c4cncn4C)cc23)s1.Cn1cncc1[C@@](O)(c1ccc(Cl)cc1)c1cnc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C(F)(F)F |
| InChI | InChI=1S/C28H17Cl2F3N4O.C28H17ClF4N4O.C28H19ClF3N5O.C28H18ClF3N4O2.C26H17Cl2F3N4O2.C25H20Cl2N4OS/c2*1-3-17-5-4-6-18(11-17)22-13-25(38)37(28(31,32)33)26-23(22)12-20(14-35-26)27(30,24-15-34-16-36(24)2)19-7-9-21(29)10-8-19;1-3-17-5-4-6-18(11-17)21-13-26(38)37(28(30,31)32)23-14-35-24(12-22(21)23)27(33,25-15-34-16-36(25)2)19-7-9-20(29)10-8-19;1-3-17-5-4-6-18(11-17)21-13-26(37)36(28(30,31)32)23-14-34-24(12-22(21)23)27(38,25-15-33-16-35(25)2)19-7-9-20(29)10-8-19;1-34-14-32-13-22(34)25(37,16-5-7-18(27)8-6-16)17-10-21-20(15-3-2-4-19(28)9-15)11-23(36)35(26(29,30)31)24(21)33-12-17;1-15-4-9-21(33-15)19-11-23(32)31(3)24-20(19)10-17(12-29-24)25(27,22-13-28-14-30(22)2)16-5-7-18(26)8-6-16/h2*1,4-16H,2H3;1,4-16H,33H2,2H3;1,4-16,38H,2H3;2-14,37H,1H3;4-14H,1-3H3/t4*27-;2*25-/m111111/s1 |
| InChIKey | ILUFZHXEJJSIED-DFEKAVHYSA-N |
| XLogP | 34.71 |
| TPSA | 382.74 Ų |
| H-Bond Donors | 3 |
| H-Bond Acceptors | 34 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 222 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3199.94 |
| LogP ≤ 5 | 34.71 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 34 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'} |
|---|
Frequently Asked Questions
What is the IUPAC name of 6-[(S)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-(trifluoromethyl)-1,7-naphthyridin-2-one;6-[(R)-chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-(trifluoromethyl)-1,8-naphthyridin-2-one;6-[(R)-chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,8-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-(trifluoromethyl)-1,8-naphthyridin-2-one;6-[(R)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-(trifluoromethyl)-1,8-naphthyridin-2-one;6-[(S)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-(trifluoromethyl)-1,7-naphthyridin-2-one?
The IUPAC name of 6-[(S)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-(trifluoromethyl)-1,7-naphthyridin-2-one;6-[(R)-chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-(trifluoromethyl)-1,8-naphthyridin-2-one;6-[(R)-chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,8-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-(trifluoromethyl)-1,8-naphthyridin-2-one;6-[(R)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-(trifluoromethyl)-1,8-naphthyridin-2-one;6-[(S)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-(trifluoromethyl)-1,7-naphthyridin-2-one (CID 158736894) is 6-[(S)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-(trifluoromethyl)-1,7-naphthyridin-2-one;6-[(R)-chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-(trifluoromethyl)-1,8-naphthyridin-2-one;6-[(R)-chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,8-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-(trifluoromethyl)-1,8-naphthyridin-2-one;6-[(R)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-(trifluoromethyl)-1,8-naphthyridin-2-one;6-[(S)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-(trifluoromethyl)-1,7-naphthyridin-2-one.
What is the SMILES notation for 6-[(S)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-(trifluoromethyl)-1,7-naphthyridin-2-one;6-[(R)-chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-(trifluoromethyl)-1,8-naphthyridin-2-one;6-[(R)-chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,8-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-(trifluoromethyl)-1,8-naphthyridin-2-one;6-[(R)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-(trifluoromethyl)-1,8-naphthyridin-2-one;6-[(S)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-(trifluoromethyl)-1,7-naphthyridin-2-one?
The canonical SMILES for 6-[(S)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-(trifluoromethyl)-1,7-naphthyridin-2-one;6-[(R)-chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-(trifluoromethyl)-1,8-naphthyridin-2-one;6-[(R)-chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,8-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-(trifluoromethyl)-1,8-naphthyridin-2-one;6-[(R)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-(trifluoromethyl)-1,8-naphthyridin-2-one;6-[(S)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-(trifluoromethyl)-1,7-naphthyridin-2-one is C#Cc1cccc(-c2cc(=O)n(C(F)(F)F)c3cnc([C@](N)(c4ccc(Cl)cc4)c4cncn4C)cc23)c1.C#Cc1cccc(-c2cc(=O)n(C(F)(F)F)c3cnc([C@](O)(c4ccc(Cl)cc4)c4cncn4C)cc23)c1.C#Cc1cccc(-c2cc(=O)n(C(F)(F)F)c3ncc([C@](Cl)(c4ccc(Cl)cc4)c4cncn4C)cc23)c1.C#Cc1cccc(-c2cc(=O)n(C(F)(F)F)c3ncc([C@](F)(c4ccc(Cl)cc4)c4cncn4C)cc23)c1.Cc1ccc(-c2cc(=O)n(C)c3ncc([C@](Cl)(c4ccc(Cl)cc4)c4cncn4C)cc23)s1.Cn1cncc1[C@@](O)(c1ccc(Cl)cc1)c1cnc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C(F)(F)F.
What is the InChIKey of 6-[(S)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-(trifluoromethyl)-1,7-naphthyridin-2-one;6-[(R)-chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-(trifluoromethyl)-1,8-naphthyridin-2-one;6-[(R)-chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,8-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-(trifluoromethyl)-1,8-naphthyridin-2-one;6-[(R)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-(trifluoromethyl)-1,8-naphthyridin-2-one;6-[(S)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-(trifluoromethyl)-1,7-naphthyridin-2-one?
The InChIKey is ILUFZHXEJJSIED-DFEKAVHYSA-N. The full InChI is InChI=1S/C28H17Cl2F3N4O.C28H17ClF4N4O.C28H19ClF3N5O.C28H18ClF3N4O2.C26H17Cl2F3N4O2.C25H20Cl2N4OS/c2*1-3-17-5-4-6-18(11-17)22-13-25(38)37(28(31,32)33)26-23(22)12-20(14-35-26)27(30,24-15-34-16-36(24)2)19-7-9-21(29)10-8-19;1-3-17-5-4-6-18(11-17)21-13-26(38)37(28(30,31)32)23-14-35-24(12-22(21)23)27(33,25-15-34-16-36(25)2)19-7-9-20(29)10-8-19;1-3-17-5-4-6-18(11-17)21-13-26(37)36(28(30,31)32)23-14-34-24(12-22(21)23)27(38,25-15-33-16-35(25)2)19-7-9-20(29)10-8-19;1-34-14-32-13-22(34)25(37,16-5-7-18(27)8-6-16)17-10-21-20(15-3-2-4-19(28)9-15)11-23(36)35(26(29,30)31)24(21)33-12-17;1-15-4-9-21(33-15)19-11-23(32)31(3)24-20(19)10-17(12-29-24)25(27,22-13-28-14-30(22)2)16-5-7-18(26)8-6-16/h2*1,4-16H,2H3;1,4-16H,33H2,2H3;1,4-16,38H,2H3;2-14,37H,1H3;4-14H,1-3H3/t4*27-;2*25-/m111111/s1.
What are the key properties of 6-[(S)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-(trifluoromethyl)-1,7-naphthyridin-2-one;6-[(R)-chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-(trifluoromethyl)-1,8-naphthyridin-2-one;6-[(R)-chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,8-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-(trifluoromethyl)-1,8-naphthyridin-2-one;6-[(R)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-(trifluoromethyl)-1,8-naphthyridin-2-one;6-[(S)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-(trifluoromethyl)-1,7-naphthyridin-2-one?
6-[(S)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-(trifluoromethyl)-1,7-naphthyridin-2-one;6-[(R)-chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-(trifluoromethyl)-1,8-naphthyridin-2-one;6-[(R)-chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,8-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-(trifluoromethyl)-1,8-naphthyridin-2-one;6-[(R)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-(trifluoromethyl)-1,8-naphthyridin-2-one;6-[(S)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-(trifluoromethyl)-1,7-naphthyridin-2-one has a molecular weight of 3199.94 g/mol, XLogP of 34.71, 24 rotatable bonds, 3 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(S)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-(trifluoromethyl)-1,7-naphthyridin-2-one;6-[(R)-chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-(trifluoromethyl)-1,8-naphthyridin-2-one;6-[(R)-chloro-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(5-methylthiophen-2-yl)-1,8-naphthyridin-2-one;4-(3-chlorophenyl)-6-[(R)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-(trifluoromethyl)-1,8-naphthyridin-2-one;6-[(R)-(4-chlorophenyl)-fluoro-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-(trifluoromethyl)-1,8-naphthyridin-2-one;6-[(S)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-(trifluoromethyl)-1,7-naphthyridin-2-one is sourced from PubChem (CID 158736894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158736894 — identifiers, structure, computed properties (public domain)
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