1-[4-[9-(2-aminopyrimidin-5-yl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-2-(trifluoromethyl)phenyl]-N-(1-methylpiperidin-4-yl)piperidine-4-carboxamide;1-[4-(2,3-dioxo-9-quinolin-3-yl-4H-pyrazino[2,3-c]quinolin-1-yl)-2-(trifluoromethyl)phenyl]-N-(1-methylpiperidin-4-yl)piperidine-4-carboxamide;N-(1-methylpiperidin-4-yl)-1-[4-[9-(1-methylpyrazol-4-yl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide;N-(1-methylpiperidin-4-yl)-1-[4-[2-oxo-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-1-yl]-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide

C143H141F12N29O9 — CID 161109221

About 1-[4-[9-(2-aminopyrimidin-5-yl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-2-(trifluoromethyl)phenyl]-N-(1-methylpiperidin-4-yl)piperidine-4-carboxamide;1-[4-(2,3-dioxo-9-quinolin-3-yl-4H-pyrazino[2,3-c]quinolin-1-yl)-2-(trifluoromethyl)phenyl]-N-(1-methylpiperidin-4-yl)piperidine-4-carboxamide;N-(1-methylpiperidin-4-yl)-1-[4-[9-(1-methylpyrazol-4-yl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide;N-(1-methylpiperidin-4-yl)-1-[4-[2-oxo-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-1-yl]-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide

1-[4-[9-(2-aminopyrimidin-5-yl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-2-(trifluoromethyl)phenyl]-N-(1-methylpiperidin-4-yl)piperidine-4-carboxamide;1-[4-(2,3-dioxo-9-quinolin-3-yl-4H-pyrazino[2,3-c]quinolin-1-yl)-2-(trifluoromethyl)phenyl]-N-(1-methylpiperidin-4-yl)piperidine-4-carboxamide;N-(1-methylpiperidin-4-yl)-1-[4-[9-(1-methylpyrazol-4-yl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide;N-(1-methylpiperidin-4-yl)-1-[4-[2-oxo-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-1-yl]-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide (PubChem CID 161109221) has the molecular formula C143H141F12N29O9 and a molecular weight of 2637.87 g/mol. Its IUPAC name is 1-[4-[9-(2-aminopyrimidin-5-yl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-2-(trifluoromethyl)phenyl]-N-(1-methylpiperidin-4-yl)piperidine-4-carboxamide;1-[4-(2,3-dioxo-9-quinolin-3-yl-4H-pyrazino[2,3-c]quinolin-1-yl)-2-(trifluoromethyl)phenyl]-N-(1-methylpiperidin-4-yl)piperidine-4-carboxamide;N-(1-methylpiperidin-4-yl)-1-[4-[9-(1-methylpyrazol-4-yl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide;N-(1-methylpiperidin-4-yl)-1-[4-[2-oxo-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-1-yl]-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[4-[9-(2-aminopyrimidin-5-yl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-2-(trifluoromethyl)phenyl]-N-(1-methylpiperidin-4-yl)piperidine-4-carboxamide;1-[4-(2,3-dioxo-9-quinolin-3-yl-4H-pyrazino[2,3-c]quinolin-1-yl)-2-(trifluoromethyl)phenyl]-N-(1-methylpiperidin-4-yl)piperidine-4-carboxamide;N-(1-methylpiperidin-4-yl)-1-[4-[9-(1-methylpyrazol-4-yl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide;N-(1-methylpiperidin-4-yl)-1-[4-[2-oxo-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-1-yl]-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide
• PubChem CID: 161109221
• Molecular Formula: C143H141F12N29O9
• Molecular Weight: 2637.87 g/mol
• Exact Mass: 2636.13
• IUPAC Name: 1-[4-[9-(2-aminopyrimidin-5-yl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-2-(trifluoromethyl)phenyl]-N-(1-methylpiperidin-4-yl)piperidine-4-carboxamide;1-[4-(2,3-dioxo-9-quinolin-3-yl-4H-pyrazino[2,3-c]quinolin-1-yl)-2-(trifluoromethyl)phenyl]-N-(1-methylpiperidin-4-yl)piperidine-4-carboxamide;N-(1-methylpiperidin-4-yl)-1-[4-[9-(1-methylpyrazol-4-yl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide;N-(1-methylpiperidin-4-yl)-1-[4-[2-oxo-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-1-yl]-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide
• SMILES: CN1CCC(NC(=O)C2CCN(c3ccc(-n4c(=O)c(=O)[nH]c5cnc6ccc(-c7cnc8ccccc8c7)cc6c54)cc3C(F)(F)F)CC2)CC1.CN1CCC(NC(=O)C2CCN(c3ccc(-n4c(=O)ccc5cnc6ccc(-c7cn[nH]c7)cc6c54)cc3C(F)(F)F)CC2)CC1.CN1CCC(NC(=O)C2CCN(c3ccc(-n4c(=O)ccc5cnc6ccc(-c7cnc(N)nc7)cc6c54)cc3C(F)(F)F)CC2)CC1.CN1CCC(NC(=O)C2CCN(c3ccc(-n4c(=O)ccc5cnc6ccc(-c7cnn(C)c7)cc6c54)cc3C(F)(F)F)CC2)CC1
• InChI: InChI=1S/C39H36F3N7O3.C35H35F3N8O2.C35H36F3N7O2.C34H34F3N7O2/c1-47-14-12-27(13-15-47)45-36(50)23-10-16-48(17-11-23)34-9-7-28(20-30(34)39(40,41)42)49-35-29-19-24(26-18-25-4-2-3-5-31(25)43-21-26)6-8-32(29)44-22-33(35)46-37(51)38(49)52;1-44-12-10-25(11-13-44)43-33(48)21-8-14-45(15-9-21)30-6-4-26(17-28(30)35(36,37)38)46-31(47)7-3-23-18-40-29-5-2-22(16-27(29)32(23)46)24-19-41-34(39)42-20-24;1-42-13-11-26(12-14-42)41-34(47)22-9-15-44(16-10-22)31-7-5-27(18-29(31)35(36,37)38)45-32(46)8-4-24-19-39-30-6-3-23(17-28(30)33(24)45)25-20-40-43(2)21-25;1-42-12-10-25(11-13-42)41-33(46)21-8-14-43(15-9-21)30-6-4-26(17-28(30)34(35,36)37)44-31(45)7-3-23-18-38-29-5-2-22(16-27(29)32(23)44)24-19-39-40-20-24/h2-9,18-23,27H,10-17H2,1H3,(H,45,50)(H,46,51);2-7,16-21,25H,8-15H2,1H3,(H,43,48)(H2,39,41,42);3-8,17-22,26H,9-16H2,1-2H3,(H,41,47);2-7,16-21,25H,8-15H2,1H3,(H,39,40)(H,41,46)
• InChIKey: UJLXKUWBHBZRQI-UHFFFAOYSA-N
• XLogP: 21.67
• TPSA: 425.93 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 32
• Rotatable Bonds: 20
• Heavy Atoms: 193
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2637.87
LogP ≤ 5	21.67
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[4-[9-(2-aminopyrimidin-5-yl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-2-(trifluoromethyl)phenyl]-N-(1-methylpiperidin-4-yl)piperidine-4-carboxamide;1-[4-(2,3-dioxo-9-quinolin-3-yl-4H-pyrazino[2,3-c]quinolin-1-yl)-2-(trifluoromethyl)phenyl]-N-(1-methylpiperidin-4-yl)piperidine-4-carboxamide;N-(1-methylpiperidin-4-yl)-1-[4-[9-(1-methylpyrazol-4-yl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide;N-(1-methylpiperidin-4-yl)-1-[4-[2-oxo-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-1-yl]-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide?

The IUPAC name of 1-[4-[9-(2-aminopyrimidin-5-yl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-2-(trifluoromethyl)phenyl]-N-(1-methylpiperidin-4-yl)piperidine-4-carboxamide;1-[4-(2,3-dioxo-9-quinolin-3-yl-4H-pyrazino[2,3-c]quinolin-1-yl)-2-(trifluoromethyl)phenyl]-N-(1-methylpiperidin-4-yl)piperidine-4-carboxamide;N-(1-methylpiperidin-4-yl)-1-[4-[9-(1-methylpyrazol-4-yl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide;N-(1-methylpiperidin-4-yl)-1-[4-[2-oxo-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-1-yl]-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide (CID 161109221) is 1-[4-[9-(2-aminopyrimidin-5-yl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-2-(trifluoromethyl)phenyl]-N-(1-methylpiperidin-4-yl)piperidine-4-carboxamide;1-[4-(2,3-dioxo-9-quinolin-3-yl-4H-pyrazino[2,3-c]quinolin-1-yl)-2-(trifluoromethyl)phenyl]-N-(1-methylpiperidin-4-yl)piperidine-4-carboxamide;N-(1-methylpiperidin-4-yl)-1-[4-[9-(1-methylpyrazol-4-yl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide;N-(1-methylpiperidin-4-yl)-1-[4-[2-oxo-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-1-yl]-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide.

What is the SMILES notation for 1-[4-[9-(2-aminopyrimidin-5-yl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-2-(trifluoromethyl)phenyl]-N-(1-methylpiperidin-4-yl)piperidine-4-carboxamide;1-[4-(2,3-dioxo-9-quinolin-3-yl-4H-pyrazino[2,3-c]quinolin-1-yl)-2-(trifluoromethyl)phenyl]-N-(1-methylpiperidin-4-yl)piperidine-4-carboxamide;N-(1-methylpiperidin-4-yl)-1-[4-[9-(1-methylpyrazol-4-yl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide;N-(1-methylpiperidin-4-yl)-1-[4-[2-oxo-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-1-yl]-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide?

The canonical SMILES for 1-[4-[9-(2-aminopyrimidin-5-yl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-2-(trifluoromethyl)phenyl]-N-(1-methylpiperidin-4-yl)piperidine-4-carboxamide;1-[4-(2,3-dioxo-9-quinolin-3-yl-4H-pyrazino[2,3-c]quinolin-1-yl)-2-(trifluoromethyl)phenyl]-N-(1-methylpiperidin-4-yl)piperidine-4-carboxamide;N-(1-methylpiperidin-4-yl)-1-[4-[9-(1-methylpyrazol-4-yl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide;N-(1-methylpiperidin-4-yl)-1-[4-[2-oxo-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-1-yl]-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide is CN1CCC(NC(=O)C2CCN(c3ccc(-n4c(=O)c(=O)[nH]c5cnc6ccc(-c7cnc8ccccc8c7)cc6c54)cc3C(F)(F)F)CC2)CC1.CN1CCC(NC(=O)C2CCN(c3ccc(-n4c(=O)ccc5cnc6ccc(-c7cn[nH]c7)cc6c54)cc3C(F)(F)F)CC2)CC1.CN1CCC(NC(=O)C2CCN(c3ccc(-n4c(=O)ccc5cnc6ccc(-c7cnc(N)nc7)cc6c54)cc3C(F)(F)F)CC2)CC1.CN1CCC(NC(=O)C2CCN(c3ccc(-n4c(=O)ccc5cnc6ccc(-c7cnn(C)c7)cc6c54)cc3C(F)(F)F)CC2)CC1.

What is the InChIKey of 1-[4-[9-(2-aminopyrimidin-5-yl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-2-(trifluoromethyl)phenyl]-N-(1-methylpiperidin-4-yl)piperidine-4-carboxamide;1-[4-(2,3-dioxo-9-quinolin-3-yl-4H-pyrazino[2,3-c]quinolin-1-yl)-2-(trifluoromethyl)phenyl]-N-(1-methylpiperidin-4-yl)piperidine-4-carboxamide;N-(1-methylpiperidin-4-yl)-1-[4-[9-(1-methylpyrazol-4-yl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide;N-(1-methylpiperidin-4-yl)-1-[4-[2-oxo-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-1-yl]-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide?

The InChIKey is UJLXKUWBHBZRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H36F3N7O3.C35H35F3N8O2.C35H36F3N7O2.C34H34F3N7O2/c1-47-14-12-27(13-15-47)45-36(50)23-10-16-48(17-11-23)34-9-7-28(20-30(34)39(40,41)42)49-35-29-19-24(26-18-25-4-2-3-5-31(25)43-21-26)6-8-32(29)44-22-33(35)46-37(51)38(49)52;1-44-12-10-25(11-13-44)43-33(48)21-8-14-45(15-9-21)30-6-4-26(17-28(30)35(36,37)38)46-31(47)7-3-23-18-40-29-5-2-22(16-27(29)32(23)46)24-19-41-34(39)42-20-24;1-42-13-11-26(12-14-42)41-34(47)22-9-15-44(16-10-22)31-7-5-27(18-29(31)35(36,37)38)45-32(46)8-4-24-19-39-30-6-3-23(17-28(30)33(24)45)25-20-40-43(2)21-25;1-42-12-10-25(11-13-42)41-33(46)21-8-14-43(15-9-21)30-6-4-26(17-28(30)34(35,36)37)44-31(45)7-3-23-18-38-29-5-2-22(16-27(29)32(23)44)24-19-39-40-20-24/h2-9,18-23,27H,10-17H2,1H3,(H,45,50)(H,46,51);2-7,16-21,25H,8-15H2,1H3,(H,43,48)(H2,39,41,42);3-8,17-22,26H,9-16H2,1-2H3,(H,41,47);2-7,16-21,25H,8-15H2,1H3,(H,39,40)(H,41,46).

What are the key properties of 1-[4-[9-(2-aminopyrimidin-5-yl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-2-(trifluoromethyl)phenyl]-N-(1-methylpiperidin-4-yl)piperidine-4-carboxamide;1-[4-(2,3-dioxo-9-quinolin-3-yl-4H-pyrazino[2,3-c]quinolin-1-yl)-2-(trifluoromethyl)phenyl]-N-(1-methylpiperidin-4-yl)piperidine-4-carboxamide;N-(1-methylpiperidin-4-yl)-1-[4-[9-(1-methylpyrazol-4-yl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide;N-(1-methylpiperidin-4-yl)-1-[4-[2-oxo-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-1-yl]-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide?

1-[4-[9-(2-aminopyrimidin-5-yl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-2-(trifluoromethyl)phenyl]-N-(1-methylpiperidin-4-yl)piperidine-4-carboxamide;1-[4-(2,3-dioxo-9-quinolin-3-yl-4H-pyrazino[2,3-c]quinolin-1-yl)-2-(trifluoromethyl)phenyl]-N-(1-methylpiperidin-4-yl)piperidine-4-carboxamide;N-(1-methylpiperidin-4-yl)-1-[4-[9-(1-methylpyrazol-4-yl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide;N-(1-methylpiperidin-4-yl)-1-[4-[2-oxo-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-1-yl]-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide has a molecular weight of 2637.87 g/mol, XLogP of 21.67, 20 rotatable bonds, 7 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[9-(2-aminopyrimidin-5-yl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-2-(trifluoromethyl)phenyl]-N-(1-methylpiperidin-4-yl)piperidine-4-carboxamide;1-[4-(2,3-dioxo-9-quinolin-3-yl-4H-pyrazino[2,3-c]quinolin-1-yl)-2-(trifluoromethyl)phenyl]-N-(1-methylpiperidin-4-yl)piperidine-4-carboxamide;N-(1-methylpiperidin-4-yl)-1-[4-[9-(1-methylpyrazol-4-yl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide;N-(1-methylpiperidin-4-yl)-1-[4-[2-oxo-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-1-yl]-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 161109221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).