3-methyl-9-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(2-methylpyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(6-methylsulfanyl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(6-morpholin-4-yl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-[6-(2-oxopropyl)-3-pyridinyl]-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(6-pyrazol-1-yl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one

C154H122F18N36O8S — CID 158020387

About 3-methyl-9-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(2-methylpyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(6-methylsulfanyl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(6-morpholin-4-yl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-[6-(2-oxopropyl)-3-pyridinyl]-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(6-pyrazol-1-yl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one

3-methyl-9-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(2-methylpyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(6-methylsulfanyl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(6-morpholin-4-yl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-[6-(2-oxopropyl)-3-pyridinyl]-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(6-pyrazol-1-yl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one (PubChem CID 158020387) has the molecular formula C154H122F18N36O8S and a molecular weight of 2978.94 g/mol. Its IUPAC name is 3-methyl-9-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(2-methylpyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(6-methylsulfanyl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(6-morpholin-4-yl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-[6-(2-oxopropyl)-3-pyridinyl]-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(6-pyrazol-1-yl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one.

Molecular Properties

• Compound Name: 3-methyl-9-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(2-methylpyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(6-methylsulfanyl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(6-morpholin-4-yl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-[6-(2-oxopropyl)-3-pyridinyl]-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(6-pyrazol-1-yl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one
• PubChem CID: 158020387
• Molecular Formula: C154H122F18N36O8S
• Molecular Weight: 2978.94 g/mol
• Exact Mass: 2976.97
• IUPAC Name: 3-methyl-9-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(2-methylpyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(6-methylsulfanyl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(6-morpholin-4-yl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-[6-(2-oxopropyl)-3-pyridinyl]-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(6-pyrazol-1-yl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one
• SMILES: CC(=O)Cc1ccc(-c2ccc3ncc4c(c3n2)N(c2cccc(C(F)(F)F)c2)C(=O)N(C)C4)cn1.CN1CCN(c2ccc(-c3ccc4ncc5c(c4n3)N(c3cccc(C(F)(F)F)c3)C(=O)N(C)C5)cn2)CC1.CN1Cc2cnc3ccc(-c4ccc(-n5cccn5)nc4)nc3c2N(c2cccc(C(F)(F)F)c2)C1=O.CN1Cc2cnc3ccc(-c4ccc(N5CCOCC5)nc4)nc3c2N(c2cccc(C(F)(F)F)c2)C1=O.CSc1ccc(-c2ccc3ncc4c(c3n2)N(c2cccc(C(F)(F)F)c2)C(=O)N(C)C4)cn1.Cc1ncc(-c2ccc3ncc4c(c3n2)N(c2cccc(C(F)(F)F)c2)C(=O)N(C)C4)cn1
• InChI: InChI=1S/C28H26F3N7O.C27H23F3N6O2.C26H18F3N7O.C26H20F3N5O2.C24H18F3N5OS.C23H17F3N6O/c1-35-10-12-37(13-11-35)24-9-6-18(15-33-24)22-7-8-23-25(34-22)26-19(16-32-23)17-36(2)27(39)38(26)21-5-3-4-20(14-21)28(29,30)31;1-34-16-18-15-31-22-7-6-21(17-5-8-23(32-14-17)35-9-11-38-12-10-35)33-24(22)25(18)36(26(34)37)20-4-2-3-19(13-20)27(28,29)30;1-34-15-17-14-30-21-8-7-20(16-6-9-22(31-13-16)35-11-3-10-32-35)33-23(21)24(17)36(25(34)37)19-5-2-4-18(12-19)26(27,28)29;1-15(35)10-19-7-6-16(12-30-19)21-8-9-22-23(32-21)24-17(13-31-22)14-33(2)25(36)34(24)20-5-3-4-18(11-20)26(27,28)29;1-31-13-15-12-28-19-8-7-18(14-6-9-20(34-2)29-11-14)30-21(19)22(15)32(23(31)33)17-5-3-4-16(10-17)24(25,26)27;1-13-27-9-14(10-28-13)18-6-7-19-20(30-18)21-15(11-29-19)12-31(2)22(33)32(21)17-5-3-4-16(8-17)23(24,25)26/h3-9,14-16H,10-13,17H2,1-2H3;2-8,13-15H,9-12,16H2,1H3;2-14H,15H2,1H3;3-9,11-13H,10,14H2,1-2H3;3-12H,13H2,1-2H3;3-11H,12H2,1-2H3
• InChIKey: FFZJIGKAIACAGC-UHFFFAOYSA-N
• XLogP: 32.82
• TPSA: 440.05 Ų
• H-Bond Acceptors: 33
• Rotatable Bonds: 18
• Heavy Atoms: 217
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2978.94
LogP ≤ 5	32.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of 3-methyl-9-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(2-methylpyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(6-methylsulfanyl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(6-morpholin-4-yl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-[6-(2-oxopropyl)-3-pyridinyl]-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(6-pyrazol-1-yl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one?

The IUPAC name of 3-methyl-9-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(2-methylpyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(6-methylsulfanyl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(6-morpholin-4-yl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-[6-(2-oxopropyl)-3-pyridinyl]-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(6-pyrazol-1-yl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one (CID 158020387) is 3-methyl-9-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(2-methylpyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(6-methylsulfanyl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(6-morpholin-4-yl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-[6-(2-oxopropyl)-3-pyridinyl]-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(6-pyrazol-1-yl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one.

What is the SMILES notation for 3-methyl-9-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(2-methylpyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(6-methylsulfanyl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(6-morpholin-4-yl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-[6-(2-oxopropyl)-3-pyridinyl]-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(6-pyrazol-1-yl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one?

The canonical SMILES for 3-methyl-9-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(2-methylpyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(6-methylsulfanyl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(6-morpholin-4-yl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-[6-(2-oxopropyl)-3-pyridinyl]-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(6-pyrazol-1-yl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one is CC(=O)Cc1ccc(-c2ccc3ncc4c(c3n2)N(c2cccc(C(F)(F)F)c2)C(=O)N(C)C4)cn1.CN1CCN(c2ccc(-c3ccc4ncc5c(c4n3)N(c3cccc(C(F)(F)F)c3)C(=O)N(C)C5)cn2)CC1.CN1Cc2cnc3ccc(-c4ccc(-n5cccn5)nc4)nc3c2N(c2cccc(C(F)(F)F)c2)C1=O.CN1Cc2cnc3ccc(-c4ccc(N5CCOCC5)nc4)nc3c2N(c2cccc(C(F)(F)F)c2)C1=O.CSc1ccc(-c2ccc3ncc4c(c3n2)N(c2cccc(C(F)(F)F)c2)C(=O)N(C)C4)cn1.Cc1ncc(-c2ccc3ncc4c(c3n2)N(c2cccc(C(F)(F)F)c2)C(=O)N(C)C4)cn1.

What is the InChIKey of 3-methyl-9-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(2-methylpyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(6-methylsulfanyl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(6-morpholin-4-yl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-[6-(2-oxopropyl)-3-pyridinyl]-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(6-pyrazol-1-yl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one?

The InChIKey is FFZJIGKAIACAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26F3N7O.C27H23F3N6O2.C26H18F3N7O.C26H20F3N5O2.C24H18F3N5OS.C23H17F3N6O/c1-35-10-12-37(13-11-35)24-9-6-18(15-33-24)22-7-8-23-25(34-22)26-19(16-32-23)17-36(2)27(39)38(26)21-5-3-4-20(14-21)28(29,30)31;1-34-16-18-15-31-22-7-6-21(17-5-8-23(32-14-17)35-9-11-38-12-10-35)33-24(22)25(18)36(26(34)37)20-4-2-3-19(13-20)27(28,29)30;1-34-15-17-14-30-21-8-7-20(16-6-9-22(31-13-16)35-11-3-10-32-35)33-23(21)24(17)36(25(34)37)19-5-2-4-18(12-19)26(27,28)29;1-15(35)10-19-7-6-16(12-30-19)21-8-9-22-23(32-21)24-17(13-31-22)14-33(2)25(36)34(24)20-5-3-4-18(11-20)26(27,28)29;1-31-13-15-12-28-19-8-7-18(14-6-9-20(34-2)29-11-14)30-21(19)22(15)32(23(31)33)17-5-3-4-16(10-17)24(25,26)27;1-13-27-9-14(10-28-13)18-6-7-19-20(30-18)21-15(11-29-19)12-31(2)22(33)32(21)17-5-3-4-16(8-17)23(24,25)26/h3-9,14-16H,10-13,17H2,1-2H3;2-8,13-15H,9-12,16H2,1H3;2-14H,15H2,1H3;3-9,11-13H,10,14H2,1-2H3;3-12H,13H2,1-2H3;3-11H,12H2,1-2H3.

What are the key properties of 3-methyl-9-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(2-methylpyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(6-methylsulfanyl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(6-morpholin-4-yl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-[6-(2-oxopropyl)-3-pyridinyl]-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(6-pyrazol-1-yl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one?

3-methyl-9-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(2-methylpyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(6-methylsulfanyl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(6-morpholin-4-yl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-[6-(2-oxopropyl)-3-pyridinyl]-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(6-pyrazol-1-yl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one has a molecular weight of 2978.94 g/mol, XLogP of 32.82, 18 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-9-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(2-methylpyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(6-methylsulfanyl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(6-morpholin-4-yl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-[6-(2-oxopropyl)-3-pyridinyl]-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(6-pyrazol-1-yl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one is sourced from PubChem (CID 158020387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).