2-anilino-7-(cyclopropylmethoxy)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-7-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-5-propan-2-yloxy-1,8-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)-1,8-naphthyridin-4-one;2-anilino-1-phenyl-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one
C123H106F12N16O10 — CID 158203912
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC2-anilino-7-(cyclopropylmethoxy)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-7-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-5-propan-2-yloxy-1,8-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)-1,8-naphthyridin-4-one;2-anilino-1-phenyl-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one
SMILESCC(C)Oc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1.COC[C@@H]1CCCN1c1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1.Cc1cc(OC(C)C)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1.Cc1cc(OCC(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1.O=c1cc(Nc2ccccc2)n(-c2ccccc2)c2nc(OCC3CC3)cc(C(F)(F)F)c12
InChIInChI=1S/C27H25F3N4O2.C25H20F3N3O2.C24H20F3N3O2.C24H23N3O2.C23H18F3N3O2/c1-36-17-20-13-8-14-33(20)23-15-21(27(28,29)30)25-22(35)16-24(31-18-9-4-2-5-10-18)34(26(25)32-23)19-11-6-3-7-12-19;26-25(27,28)19-13-22(33-15-16-11-12-16)30-24-23(19)20(32)14-21(29-17-7-3-1-4-8-17)31(24)18-9-5-2-6-10-18;1-15(2)32-21-13-18(24(25,26)27)22-19(31)14-20(28-16-9-5-3-6-10-16)30(23(22)29-21)17-11-7-4-8-12-17;1-16(2)29-21-14-17(3)25-24-23(21)20(28)15-22(26-18-10-6-4-7-11-18)27(24)19-12-8-5-9-13-19;1-15-12-19(31-14-23(24,25)26)21-18(30)13-20(28-16-8-4-2-5-9-16)29(22(21)27-15)17-10-6-3-7-11-17/h2-7,9-12,15-16,20,31H,8,13-14,17H2,1H3;1-10,13-14,16,29H,11-12,15H2;3-15,28H,1-2H3;4-16,26H,1-3H3;2-13,28H,14H2,1H3/t20-;;;;/m0..../s1
InChIKeyGBGNGJCTUCZEGW-YAVGSXOASA-N
MW2196.28 g/mol
LogP28.24
Rot. Bonds27
About 2-anilino-7-(cyclopropylmethoxy)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-7-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-5-propan-2-yloxy-1,8-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)-1,8-naphthyridin-4-one;2-anilino-1-phenyl-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one
2-anilino-7-(cyclopropylmethoxy)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-7-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-5-propan-2-yloxy-1,8-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)-1,8-naphthyridin-4-one;2-anilino-1-phenyl-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one (PubChem CID 158203912) has the molecular formula C123H106F12N16O10 and a molecular weight of 2196.28 g/mol. Its IUPAC name is 2-anilino-7-(cyclopropylmethoxy)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-7-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-5-propan-2-yloxy-1,8-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)-1,8-naphthyridin-4-one;2-anilino-1-phenyl-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one.
Molecular Properties
| Compound Name | 2-anilino-7-(cyclopropylmethoxy)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-7-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-5-propan-2-yloxy-1,8-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)-1,8-naphthyridin-4-one;2-anilino-1-phenyl-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one |
|---|---|
| PubChem CID | 158203912 |
| Molecular Formula | C123H106F12N16O10 |
| Molecular Weight | 2196.28 g/mol |
| Exact Mass | 2194.81 |
| IUPAC Name | 2-anilino-7-(cyclopropylmethoxy)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-7-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-5-propan-2-yloxy-1,8-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)-1,8-naphthyridin-4-one;2-anilino-1-phenyl-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one |
| SMILES | CC(C)Oc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1.COC[C@@H]1CCCN1c1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1.Cc1cc(OC(C)C)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1.Cc1cc(OCC(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1.O=c1cc(Nc2ccccc2)n(-c2ccccc2)c2nc(OCC3CC3)cc(C(F)(F)F)c12 |
| InChI | InChI=1S/C27H25F3N4O2.C25H20F3N3O2.C24H20F3N3O2.C24H23N3O2.C23H18F3N3O2/c1-36-17-20-13-8-14-33(20)23-15-21(27(28,29)30)25-22(35)16-24(31-18-9-4-2-5-10-18)34(26(25)32-23)19-11-6-3-7-12-19;26-25(27,28)19-13-22(33-15-16-11-12-16)30-24-23(19)20(32)14-21(29-17-7-3-1-4-8-17)31(24)18-9-5-2-6-10-18;1-15(2)32-21-13-18(24(25,26)27)22-19(31)14-20(28-16-9-5-3-6-10-16)30(23(22)29-21)17-11-7-4-8-12-17;1-16(2)29-21-14-17(3)25-24-23(21)20(28)15-22(26-18-10-6-4-7-11-18)27(24)19-12-8-5-9-13-19;1-15-12-19(31-14-23(24,25)26)21-18(30)13-20(28-16-8-4-2-5-9-16)29(22(21)27-15)17-10-6-3-7-11-17/h2-7,9-12,15-16,20,31H,8,13-14,17H2,1H3;1-10,13-14,16,29H,11-12,15H2;3-15,28H,1-2H3;4-16,26H,1-3H3;2-13,28H,14H2,1H3/t20-;;;;/m0..../s1 |
| InChIKey | GBGNGJCTUCZEGW-YAVGSXOASA-N |
| XLogP | 28.24 |
| TPSA | 283.99 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 26 |
| Rotatable Bonds | 27 |
| Heavy Atoms | 161 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2196.28 |
| LogP ≤ 5 | 28.24 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 26 |
Frequently Asked Questions
What is the IUPAC name of 2-anilino-7-(cyclopropylmethoxy)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-7-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-5-propan-2-yloxy-1,8-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)-1,8-naphthyridin-4-one;2-anilino-1-phenyl-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
The IUPAC name of 2-anilino-7-(cyclopropylmethoxy)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-7-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-5-propan-2-yloxy-1,8-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)-1,8-naphthyridin-4-one;2-anilino-1-phenyl-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one (CID 158203912) is 2-anilino-7-(cyclopropylmethoxy)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-7-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-5-propan-2-yloxy-1,8-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)-1,8-naphthyridin-4-one;2-anilino-1-phenyl-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one.
What is the SMILES notation for 2-anilino-7-(cyclopropylmethoxy)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-7-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-5-propan-2-yloxy-1,8-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)-1,8-naphthyridin-4-one;2-anilino-1-phenyl-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
The canonical SMILES for 2-anilino-7-(cyclopropylmethoxy)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-7-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-5-propan-2-yloxy-1,8-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)-1,8-naphthyridin-4-one;2-anilino-1-phenyl-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one is CC(C)Oc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1.COC[C@@H]1CCCN1c1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1.Cc1cc(OC(C)C)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1.Cc1cc(OCC(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1.O=c1cc(Nc2ccccc2)n(-c2ccccc2)c2nc(OCC3CC3)cc(C(F)(F)F)c12.
What is the InChIKey of 2-anilino-7-(cyclopropylmethoxy)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-7-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-5-propan-2-yloxy-1,8-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)-1,8-naphthyridin-4-one;2-anilino-1-phenyl-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
The InChIKey is GBGNGJCTUCZEGW-YAVGSXOASA-N. The full InChI is InChI=1S/C27H25F3N4O2.C25H20F3N3O2.C24H20F3N3O2.C24H23N3O2.C23H18F3N3O2/c1-36-17-20-13-8-14-33(20)23-15-21(27(28,29)30)25-22(35)16-24(31-18-9-4-2-5-10-18)34(26(25)32-23)19-11-6-3-7-12-19;26-25(27,28)19-13-22(33-15-16-11-12-16)30-24-23(19)20(32)14-21(29-17-7-3-1-4-8-17)31(24)18-9-5-2-6-10-18;1-15(2)32-21-13-18(24(25,26)27)22-19(31)14-20(28-16-9-5-3-6-10-16)30(23(22)29-21)17-11-7-4-8-12-17;1-16(2)29-21-14-17(3)25-24-23(21)20(28)15-22(26-18-10-6-4-7-11-18)27(24)19-12-8-5-9-13-19;1-15-12-19(31-14-23(24,25)26)21-18(30)13-20(28-16-8-4-2-5-9-16)29(22(21)27-15)17-10-6-3-7-11-17/h2-7,9-12,15-16,20,31H,8,13-14,17H2,1H3;1-10,13-14,16,29H,11-12,15H2;3-15,28H,1-2H3;4-16,26H,1-3H3;2-13,28H,14H2,1H3/t20-;;;;/m0..../s1.
What are the key properties of 2-anilino-7-(cyclopropylmethoxy)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-7-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-5-propan-2-yloxy-1,8-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)-1,8-naphthyridin-4-one;2-anilino-1-phenyl-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
2-anilino-7-(cyclopropylmethoxy)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-7-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-5-propan-2-yloxy-1,8-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)-1,8-naphthyridin-4-one;2-anilino-1-phenyl-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one has a molecular weight of 2196.28 g/mol, XLogP of 28.24, 27 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-7-(cyclopropylmethoxy)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-7-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-5-propan-2-yloxy-1,8-naphthyridin-4-one;2-anilino-7-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)-1,8-naphthyridin-4-one;2-anilino-1-phenyl-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one is sourced from PubChem (CID 158203912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158203912 — identifiers, structure, computed properties (public domain)
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