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

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).