9-(2-aminopyrimidin-5-yl)-3-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;9-[2-(hydroxymethyl)pyrimidin-5-yl]-3-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;9-(2-isocyanopyrimidin-5-yl)-3-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;9-(2-methoxypyrimidin-5-yl)-3-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(2-methylsulfanylpyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-[2-(2-oxopropyl)pyrimidin-5-yl]-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one

C139H100F18N38O9S — CID 160767904

About 9-(2-aminopyrimidin-5-yl)-3-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;9-[2-(hydroxymethyl)pyrimidin-5-yl]-3-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;9-(2-isocyanopyrimidin-5-yl)-3-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;9-(2-methoxypyrimidin-5-yl)-3-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(2-methylsulfanylpyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-[2-(2-oxopropyl)pyrimidin-5-yl]-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one

9-(2-aminopyrimidin-5-yl)-3-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;9-[2-(hydroxymethyl)pyrimidin-5-yl]-3-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;9-(2-isocyanopyrimidin-5-yl)-3-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;9-(2-methoxypyrimidin-5-yl)-3-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(2-methylsulfanylpyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-[2-(2-oxopropyl)pyrimidin-5-yl]-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one (PubChem CID 160767904) has the molecular formula C139H100F18N38O9S and a molecular weight of 2820.62 g/mol. Its IUPAC name is 9-(2-aminopyrimidin-5-yl)-3-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;9-[2-(hydroxymethyl)pyrimidin-5-yl]-3-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;9-(2-isocyanopyrimidin-5-yl)-3-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;9-(2-methoxypyrimidin-5-yl)-3-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(2-methylsulfanylpyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-[2-(2-oxopropyl)pyrimidin-5-yl]-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one.

Molecular Properties

• Compound Name: 9-(2-aminopyrimidin-5-yl)-3-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;9-[2-(hydroxymethyl)pyrimidin-5-yl]-3-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;9-(2-isocyanopyrimidin-5-yl)-3-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;9-(2-methoxypyrimidin-5-yl)-3-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(2-methylsulfanylpyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-[2-(2-oxopropyl)pyrimidin-5-yl]-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one
• PubChem CID: 160767904
• Molecular Formula: C139H100F18N38O9S
• Molecular Weight: 2820.62 g/mol
• Exact Mass: 2818.80
• IUPAC Name: 9-(2-aminopyrimidin-5-yl)-3-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;9-[2-(hydroxymethyl)pyrimidin-5-yl]-3-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;9-(2-isocyanopyrimidin-5-yl)-3-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;9-(2-methoxypyrimidin-5-yl)-3-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(2-methylsulfanylpyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-[2-(2-oxopropyl)pyrimidin-5-yl]-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one
• SMILES: CC(=O)Cc1ncc(-c2ccc3ncc4c(c3n2)N(c2cccc(C(F)(F)F)c2)C(=O)N(C)C4)cn1.CN1Cc2cnc3ccc(-c4cnc(CO)nc4)nc3c2N(c2cccc(C(F)(F)F)c2)C1=O.CN1Cc2cnc3ccc(-c4cnc(N)nc4)nc3c2N(c2cccc(C(F)(F)F)c2)C1=O.COc1ncc(-c2ccc3ncc4c(c3n2)N(c2cccc(C(F)(F)F)c2)C(=O)N(C)C4)cn1.CSc1ncc(-c2ccc3ncc4c(c3n2)N(c2cccc(C(F)(F)F)c2)C(=O)N(C)C4)cn1.[C-]#[N+]c1ncc(-c2ccc3ncc4c(c3n2)N(c2cccc(C(F)(F)F)c2)C(=O)N(C)C4)cn1
• InChI: InChI=1S/C25H19F3N6O2.C23H14F3N7O.2C23H17F3N6O2.C23H17F3N6OS.C22H16F3N7O/c1-14(35)8-21-30-10-15(11-31-21)19-6-7-20-22(32-19)23-16(12-29-20)13-33(2)24(36)34(23)18-5-3-4-17(9-18)25(26,27)28;1-27-21-29-9-13(10-30-21)17-6-7-18-19(31-17)20-14(11-28-18)12-32(2)22(34)33(20)16-5-3-4-15(8-16)23(24,25)26;1-31-12-14-11-27-18-7-6-17(13-9-28-21(34-2)29-10-13)30-19(18)20(14)32(22(31)33)16-5-3-4-15(8-16)23(24,25)26;1-31-11-14-10-27-18-6-5-17(13-8-28-19(12-33)29-9-13)30-20(18)21(14)32(22(31)34)16-4-2-3-15(7-16)23(24,25)26;1-31-12-14-11-27-18-7-6-17(13-9-28-21(34-2)29-10-13)30-19(18)20(14)32(22(31)33)16-5-3-4-15(8-16)23(24,25)26;1-31-11-13-10-27-17-6-5-16(12-8-28-20(26)29-9-12)30-18(17)19(13)32(21(31)33)15-4-2-3-14(7-15)22(23,24)25/h3-7,9-12H,8,13H2,1-2H3;3-11H,12H2,2H3;3-11H,12H2,1-2H3;2-10,33H,11-12H2,1H3;3-11H,12H2,1-2H3;2-10H,11H2,1H3,(H2,26,28,29)
• InChIKey: RYXQYPKUWLCDCO-UHFFFAOYSA-N
• XLogP: 29.34
• TPSA: 527.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 35
• Rotatable Bonds: 17
• Heavy Atoms: 205
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2820.62
LogP ≤ 5	29.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-(2-aminopyrimidin-5-yl)-3-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;9-[2-(hydroxymethyl)pyrimidin-5-yl]-3-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;9-(2-isocyanopyrimidin-5-yl)-3-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;9-(2-methoxypyrimidin-5-yl)-3-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(2-methylsulfanylpyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-[2-(2-oxopropyl)pyrimidin-5-yl]-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one?

The IUPAC name of 9-(2-aminopyrimidin-5-yl)-3-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;9-[2-(hydroxymethyl)pyrimidin-5-yl]-3-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;9-(2-isocyanopyrimidin-5-yl)-3-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;9-(2-methoxypyrimidin-5-yl)-3-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(2-methylsulfanylpyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-[2-(2-oxopropyl)pyrimidin-5-yl]-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one (CID 160767904) is 9-(2-aminopyrimidin-5-yl)-3-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;9-[2-(hydroxymethyl)pyrimidin-5-yl]-3-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;9-(2-isocyanopyrimidin-5-yl)-3-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;9-(2-methoxypyrimidin-5-yl)-3-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(2-methylsulfanylpyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-[2-(2-oxopropyl)pyrimidin-5-yl]-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one.

What is the SMILES notation for 9-(2-aminopyrimidin-5-yl)-3-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;9-[2-(hydroxymethyl)pyrimidin-5-yl]-3-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;9-(2-isocyanopyrimidin-5-yl)-3-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;9-(2-methoxypyrimidin-5-yl)-3-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(2-methylsulfanylpyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-[2-(2-oxopropyl)pyrimidin-5-yl]-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one?

The canonical SMILES for 9-(2-aminopyrimidin-5-yl)-3-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;9-[2-(hydroxymethyl)pyrimidin-5-yl]-3-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;9-(2-isocyanopyrimidin-5-yl)-3-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;9-(2-methoxypyrimidin-5-yl)-3-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(2-methylsulfanylpyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-[2-(2-oxopropyl)pyrimidin-5-yl]-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one is CC(=O)Cc1ncc(-c2ccc3ncc4c(c3n2)N(c2cccc(C(F)(F)F)c2)C(=O)N(C)C4)cn1.CN1Cc2cnc3ccc(-c4cnc(CO)nc4)nc3c2N(c2cccc(C(F)(F)F)c2)C1=O.CN1Cc2cnc3ccc(-c4cnc(N)nc4)nc3c2N(c2cccc(C(F)(F)F)c2)C1=O.COc1ncc(-c2ccc3ncc4c(c3n2)N(c2cccc(C(F)(F)F)c2)C(=O)N(C)C4)cn1.CSc1ncc(-c2ccc3ncc4c(c3n2)N(c2cccc(C(F)(F)F)c2)C(=O)N(C)C4)cn1.[C-]#[N+]c1ncc(-c2ccc3ncc4c(c3n2)N(c2cccc(C(F)(F)F)c2)C(=O)N(C)C4)cn1.

What is the InChIKey of 9-(2-aminopyrimidin-5-yl)-3-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;9-[2-(hydroxymethyl)pyrimidin-5-yl]-3-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;9-(2-isocyanopyrimidin-5-yl)-3-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;9-(2-methoxypyrimidin-5-yl)-3-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(2-methylsulfanylpyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-[2-(2-oxopropyl)pyrimidin-5-yl]-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one?

The InChIKey is RYXQYPKUWLCDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F3N6O2.C23H14F3N7O.2C23H17F3N6O2.C23H17F3N6OS.C22H16F3N7O/c1-14(35)8-21-30-10-15(11-31-21)19-6-7-20-22(32-19)23-16(12-29-20)13-33(2)24(36)34(23)18-5-3-4-17(9-18)25(26,27)28;1-27-21-29-9-13(10-30-21)17-6-7-18-19(31-17)20-14(11-28-18)12-32(2)22(34)33(20)16-5-3-4-15(8-16)23(24,25)26;1-31-12-14-11-27-18-7-6-17(13-9-28-21(34-2)29-10-13)30-19(18)20(14)32(22(31)33)16-5-3-4-15(8-16)23(24,25)26;1-31-11-14-10-27-18-6-5-17(13-8-28-19(12-33)29-9-13)30-20(18)21(14)32(22(31)34)16-4-2-3-15(7-16)23(24,25)26;1-31-12-14-11-27-18-7-6-17(13-9-28-21(34-2)29-10-13)30-19(18)20(14)32(22(31)33)16-5-3-4-15(8-16)23(24,25)26;1-31-11-13-10-27-17-6-5-16(12-8-28-20(26)29-9-12)30-18(17)19(13)32(21(31)33)15-4-2-3-14(7-15)22(23,24)25/h3-7,9-12H,8,13H2,1-2H3;3-11H,12H2,2H3;3-11H,12H2,1-2H3;2-10,33H,11-12H2,1H3;3-11H,12H2,1-2H3;2-10H,11H2,1H3,(H2,26,28,29).

What are the key properties of 9-(2-aminopyrimidin-5-yl)-3-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;9-[2-(hydroxymethyl)pyrimidin-5-yl]-3-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;9-(2-isocyanopyrimidin-5-yl)-3-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;9-(2-methoxypyrimidin-5-yl)-3-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(2-methylsulfanylpyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-[2-(2-oxopropyl)pyrimidin-5-yl]-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one?

9-(2-aminopyrimidin-5-yl)-3-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;9-[2-(hydroxymethyl)pyrimidin-5-yl]-3-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;9-(2-isocyanopyrimidin-5-yl)-3-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;9-(2-methoxypyrimidin-5-yl)-3-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(2-methylsulfanylpyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-[2-(2-oxopropyl)pyrimidin-5-yl]-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one has a molecular weight of 2820.62 g/mol, XLogP of 29.34, 17 rotatable bonds, 2 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(2-aminopyrimidin-5-yl)-3-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;9-[2-(hydroxymethyl)pyrimidin-5-yl]-3-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;9-(2-isocyanopyrimidin-5-yl)-3-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;9-(2-methoxypyrimidin-5-yl)-3-methyl-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-(2-methylsulfanylpyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one;3-methyl-9-[2-(2-oxopropyl)pyrimidin-5-yl]-1-[3-(trifluoromethyl)phenyl]-4H-pyrimido[5,4-c][1,5]naphthyridin-2-one is sourced from PubChem (CID 160767904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).