9-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;9-(2-methylpyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;9-(6-morpholin-4-yl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;9-(6-pyrazol-1-yl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione

C100H68F12N26O9 — CID 157333549

About 9-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;9-(2-methylpyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;9-(6-morpholin-4-yl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;9-(6-pyrazol-1-yl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione

9-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;9-(2-methylpyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;9-(6-morpholin-4-yl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;9-(6-pyrazol-1-yl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione (PubChem CID 157333549) has the molecular formula C100H68F12N26O9 and a molecular weight of 2005.79 g/mol. Its IUPAC name is 9-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;9-(2-methylpyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;9-(6-morpholin-4-yl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;9-(6-pyrazol-1-yl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione.

Molecular Properties

• Compound Name: 9-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;9-(2-methylpyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;9-(6-morpholin-4-yl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;9-(6-pyrazol-1-yl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
• PubChem CID: 157333549
• Molecular Formula: C100H68F12N26O9
• Molecular Weight: 2005.79 g/mol
• Exact Mass: 2004.55
• IUPAC Name: 9-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;9-(2-methylpyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;9-(6-morpholin-4-yl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;9-(6-pyrazol-1-yl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
• SMILES: CN1CCN(c2ccc(-c3ccc4ncc5c(=O)[nH]c(=O)n(-c6cccc(C(F)(F)F)c6)c5c4n3)cn2)CC1.Cc1ncc(-c2ccc3ncc4c(=O)[nH]c(=O)n(-c5cccc(C(F)(F)F)c5)c4c3n2)cn1.O=c1[nH]c(=O)n(-c2cccc(C(F)(F)F)c2)c2c1cnc1ccc(-c3ccc(-n4cccn4)nc3)nc12.O=c1[nH]c(=O)n(-c2cccc(C(F)(F)F)c2)c2c1cnc1ccc(-c3ccc(N4CCOCC4)nc3)nc12
• InChI: InChI=1S/C27H22F3N7O2.C26H19F3N6O3.C25H14F3N7O2.C22H13F3N6O2/c1-35-9-11-36(12-10-35)22-8-5-16(14-32-22)20-6-7-21-23(33-20)24-19(15-31-21)25(38)34-26(39)37(24)18-4-2-3-17(13-18)27(28,29)30;27-26(28,29)16-2-1-3-17(12-16)35-23-18(24(36)33-25(35)37)14-30-20-6-5-19(32-22(20)23)15-4-7-21(31-13-15)34-8-10-38-11-9-34;26-25(27,28)15-3-1-4-16(11-15)35-22-17(23(36)33-24(35)37)13-29-19-7-6-18(32-21(19)22)14-5-8-20(30-12-14)34-10-2-9-31-34;1-11-26-8-12(9-27-11)16-5-6-17-18(29-16)19-15(10-28-17)20(32)30-21(33)31(19)14-4-2-3-13(7-14)22(23,24)25/h2-8,13-15H,9-12H2,1H3,(H,34,38,39);1-7,12-14H,8-11H2,(H,33,36,37);1-13H,(H,33,36,37);2-10H,1H3,(H,30,32,33)
• InChIKey: BFOLZGYJVSUEIF-UHFFFAOYSA-N
• XLogP: 14.29
• TPSA: 423.78 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 31
• Rotatable Bonds: 11
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2005.79
LogP ≤ 5	14.29
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;9-(2-methylpyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;9-(6-morpholin-4-yl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;9-(6-pyrazol-1-yl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione?

The IUPAC name of 9-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;9-(2-methylpyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;9-(6-morpholin-4-yl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;9-(6-pyrazol-1-yl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione (CID 157333549) is 9-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;9-(2-methylpyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;9-(6-morpholin-4-yl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;9-(6-pyrazol-1-yl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione.

What is the SMILES notation for 9-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;9-(2-methylpyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;9-(6-morpholin-4-yl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;9-(6-pyrazol-1-yl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione?

The canonical SMILES for 9-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;9-(2-methylpyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;9-(6-morpholin-4-yl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;9-(6-pyrazol-1-yl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione is CN1CCN(c2ccc(-c3ccc4ncc5c(=O)[nH]c(=O)n(-c6cccc(C(F)(F)F)c6)c5c4n3)cn2)CC1.Cc1ncc(-c2ccc3ncc4c(=O)[nH]c(=O)n(-c5cccc(C(F)(F)F)c5)c4c3n2)cn1.O=c1[nH]c(=O)n(-c2cccc(C(F)(F)F)c2)c2c1cnc1ccc(-c3ccc(-n4cccn4)nc3)nc12.O=c1[nH]c(=O)n(-c2cccc(C(F)(F)F)c2)c2c1cnc1ccc(-c3ccc(N4CCOCC4)nc3)nc12.

What is the InChIKey of 9-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;9-(2-methylpyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;9-(6-morpholin-4-yl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;9-(6-pyrazol-1-yl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione?

The InChIKey is BFOLZGYJVSUEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22F3N7O2.C26H19F3N6O3.C25H14F3N7O2.C22H13F3N6O2/c1-35-9-11-36(12-10-35)22-8-5-16(14-32-22)20-6-7-21-23(33-20)24-19(15-31-21)25(38)34-26(39)37(24)18-4-2-3-17(13-18)27(28,29)30;27-26(28,29)16-2-1-3-17(12-16)35-23-18(24(36)33-25(35)37)14-30-20-6-5-19(32-22(20)23)15-4-7-21(31-13-15)34-8-10-38-11-9-34;26-25(27,28)15-3-1-4-16(11-15)35-22-17(23(36)33-24(35)37)13-29-19-7-6-18(32-21(19)22)14-5-8-20(30-12-14)34-10-2-9-31-34;1-11-26-8-12(9-27-11)16-5-6-17-18(29-16)19-15(10-28-17)20(32)30-21(33)31(19)14-4-2-3-13(7-14)22(23,24)25/h2-8,13-15H,9-12H2,1H3,(H,34,38,39);1-7,12-14H,8-11H2,(H,33,36,37);1-13H,(H,33,36,37);2-10H,1H3,(H,30,32,33).

What are the key properties of 9-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;9-(2-methylpyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;9-(6-morpholin-4-yl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;9-(6-pyrazol-1-yl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione?

9-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;9-(2-methylpyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;9-(6-morpholin-4-yl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;9-(6-pyrazol-1-yl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione has a molecular weight of 2005.79 g/mol, XLogP of 14.29, 11 rotatable bonds, 4 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;9-(2-methylpyrimidin-5-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;9-(6-morpholin-4-yl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione;9-(6-pyrazol-1-yl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione is sourced from PubChem (CID 157333549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).