9-(2-aminopyrimidin-5-yl)-1-(3-chloro-4-piperazin-1-ylphenyl)benzo[h][1,6]naphthyridin-2-one;1-(3-chloro-4-piperazin-1-ylphenyl)-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-(3-chloro-4-piperazin-1-ylphenyl)-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-(3-chloro-4-piperazin-1-ylphenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-(1-methylpyrazol-4-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one

C135H113Cl4F3N30O5 — CID 160824561

About 9-(2-aminopyrimidin-5-yl)-1-(3-chloro-4-piperazin-1-ylphenyl)benzo[h][1,6]naphthyridin-2-one;1-(3-chloro-4-piperazin-1-ylphenyl)-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-(3-chloro-4-piperazin-1-ylphenyl)-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-(3-chloro-4-piperazin-1-ylphenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-(1-methylpyrazol-4-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one

9-(2-aminopyrimidin-5-yl)-1-(3-chloro-4-piperazin-1-ylphenyl)benzo[h][1,6]naphthyridin-2-one;1-(3-chloro-4-piperazin-1-ylphenyl)-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-(3-chloro-4-piperazin-1-ylphenyl)-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-(3-chloro-4-piperazin-1-ylphenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-(1-methylpyrazol-4-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one (PubChem CID 160824561) has the molecular formula C135H113Cl4F3N30O5 and a molecular weight of 2434.40 g/mol. Its IUPAC name is 9-(2-aminopyrimidin-5-yl)-1-(3-chloro-4-piperazin-1-ylphenyl)benzo[h][1,6]naphthyridin-2-one;1-(3-chloro-4-piperazin-1-ylphenyl)-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-(3-chloro-4-piperazin-1-ylphenyl)-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-(3-chloro-4-piperazin-1-ylphenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-(1-methylpyrazol-4-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one.

Molecular Properties

• Compound Name: 9-(2-aminopyrimidin-5-yl)-1-(3-chloro-4-piperazin-1-ylphenyl)benzo[h][1,6]naphthyridin-2-one;1-(3-chloro-4-piperazin-1-ylphenyl)-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-(3-chloro-4-piperazin-1-ylphenyl)-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-(3-chloro-4-piperazin-1-ylphenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-(1-methylpyrazol-4-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one
• PubChem CID: 160824561
• Molecular Formula: C135H113Cl4F3N30O5
• Molecular Weight: 2434.40 g/mol
• Exact Mass: 2430.82
• IUPAC Name: 9-(2-aminopyrimidin-5-yl)-1-(3-chloro-4-piperazin-1-ylphenyl)benzo[h][1,6]naphthyridin-2-one;1-(3-chloro-4-piperazin-1-ylphenyl)-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-(3-chloro-4-piperazin-1-ylphenyl)-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-(3-chloro-4-piperazin-1-ylphenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-(1-methylpyrazol-4-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one
• SMILES: Cn1cc(-c2ccc3ncc4ccc(=O)n(-c5ccc(N6CCNCC6)c(C(F)(F)F)c5)c4c3c2)cn1.Cn1cc(-c2ccc3ncc4ccc(=O)n(-c5ccc(N6CCNCC6)c(Cl)c5)c4c3c2)cn1.Nc1ncc(-c2ccc3ncc4ccc(=O)n(-c5ccc(N6CCNCC6)c(Cl)c5)c4c3c2)cn1.O=c1ccc2cnc3ccc(-c4cn[nH]c4)cc3c2n1-c1ccc(N2CCNCC2)c(Cl)c1.O=c1ccc2cnc3ccc(-c4cnc5ccccc5c4)cc3c2n1-c1ccc(N2CCNCC2)c(Cl)c1
• InChI: InChI=1S/C31H24ClN5O.C27H23F3N6O.C26H22ClN7O.C26H23ClN6O.C25H21ClN6O/c32-26-17-24(7-9-29(26)36-13-11-33-12-14-36)37-30(38)10-6-22-18-35-28-8-5-20(16-25(28)31(22)37)23-15-21-3-1-2-4-27(21)34-19-23;1-34-16-19(15-33-34)17-2-5-23-21(12-17)26-18(14-32-23)3-7-25(37)36(26)20-4-6-24(22(13-20)27(28,29)30)35-10-8-31-9-11-35;27-21-12-19(3-5-23(21)33-9-7-29-8-10-33)34-24(35)6-2-17-13-30-22-4-1-16(11-20(22)25(17)34)18-14-31-26(28)32-15-18;1-31-16-19(15-30-31)17-2-5-23-21(12-17)26-18(14-29-23)3-7-25(34)33(26)20-4-6-24(22(27)13-20)32-10-8-28-9-11-32;26-21-12-19(3-5-23(21)31-9-7-27-8-10-31)32-24(33)6-2-17-13-28-22-4-1-16(11-20(22)25(17)32)18-14-29-30-15-18/h1-10,15-19,33H,11-14H2;2-7,12-16,31H,8-11H2,1H3;1-6,11-15,29H,7-10H2,(H2,28,31,32);2-7,12-16,28H,8-11H2,1H3;1-6,11-15,27H,7-10H2,(H,29,30)
• InChIKey: SFZIYASHSWRUCZ-UHFFFAOYSA-N
• XLogP: 21.82
• TPSA: 379.81 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 34
• Rotatable Bonds: 15
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2434.40
LogP ≤ 5	21.82
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-(2-aminopyrimidin-5-yl)-1-(3-chloro-4-piperazin-1-ylphenyl)benzo[h][1,6]naphthyridin-2-one;1-(3-chloro-4-piperazin-1-ylphenyl)-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-(3-chloro-4-piperazin-1-ylphenyl)-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-(3-chloro-4-piperazin-1-ylphenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-(1-methylpyrazol-4-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one?

The IUPAC name of 9-(2-aminopyrimidin-5-yl)-1-(3-chloro-4-piperazin-1-ylphenyl)benzo[h][1,6]naphthyridin-2-one;1-(3-chloro-4-piperazin-1-ylphenyl)-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-(3-chloro-4-piperazin-1-ylphenyl)-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-(3-chloro-4-piperazin-1-ylphenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-(1-methylpyrazol-4-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one (CID 160824561) is 9-(2-aminopyrimidin-5-yl)-1-(3-chloro-4-piperazin-1-ylphenyl)benzo[h][1,6]naphthyridin-2-one;1-(3-chloro-4-piperazin-1-ylphenyl)-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-(3-chloro-4-piperazin-1-ylphenyl)-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-(3-chloro-4-piperazin-1-ylphenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-(1-methylpyrazol-4-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one.

What is the SMILES notation for 9-(2-aminopyrimidin-5-yl)-1-(3-chloro-4-piperazin-1-ylphenyl)benzo[h][1,6]naphthyridin-2-one;1-(3-chloro-4-piperazin-1-ylphenyl)-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-(3-chloro-4-piperazin-1-ylphenyl)-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-(3-chloro-4-piperazin-1-ylphenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-(1-methylpyrazol-4-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one?

The canonical SMILES for 9-(2-aminopyrimidin-5-yl)-1-(3-chloro-4-piperazin-1-ylphenyl)benzo[h][1,6]naphthyridin-2-one;1-(3-chloro-4-piperazin-1-ylphenyl)-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-(3-chloro-4-piperazin-1-ylphenyl)-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-(3-chloro-4-piperazin-1-ylphenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-(1-methylpyrazol-4-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one is Cn1cc(-c2ccc3ncc4ccc(=O)n(-c5ccc(N6CCNCC6)c(C(F)(F)F)c5)c4c3c2)cn1.Cn1cc(-c2ccc3ncc4ccc(=O)n(-c5ccc(N6CCNCC6)c(Cl)c5)c4c3c2)cn1.Nc1ncc(-c2ccc3ncc4ccc(=O)n(-c5ccc(N6CCNCC6)c(Cl)c5)c4c3c2)cn1.O=c1ccc2cnc3ccc(-c4cn[nH]c4)cc3c2n1-c1ccc(N2CCNCC2)c(Cl)c1.O=c1ccc2cnc3ccc(-c4cnc5ccccc5c4)cc3c2n1-c1ccc(N2CCNCC2)c(Cl)c1.

What is the InChIKey of 9-(2-aminopyrimidin-5-yl)-1-(3-chloro-4-piperazin-1-ylphenyl)benzo[h][1,6]naphthyridin-2-one;1-(3-chloro-4-piperazin-1-ylphenyl)-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-(3-chloro-4-piperazin-1-ylphenyl)-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-(3-chloro-4-piperazin-1-ylphenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-(1-methylpyrazol-4-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one?

The InChIKey is SFZIYASHSWRUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24ClN5O.C27H23F3N6O.C26H22ClN7O.C26H23ClN6O.C25H21ClN6O/c32-26-17-24(7-9-29(26)36-13-11-33-12-14-36)37-30(38)10-6-22-18-35-28-8-5-20(16-25(28)31(22)37)23-15-21-3-1-2-4-27(21)34-19-23;1-34-16-19(15-33-34)17-2-5-23-21(12-17)26-18(14-32-23)3-7-25(37)36(26)20-4-6-24(22(13-20)27(28,29)30)35-10-8-31-9-11-35;27-21-12-19(3-5-23(21)33-9-7-29-8-10-33)34-24(35)6-2-17-13-30-22-4-1-16(11-20(22)25(17)34)18-14-31-26(28)32-15-18;1-31-16-19(15-30-31)17-2-5-23-21(12-17)26-18(14-29-23)3-7-25(34)33(26)20-4-6-24(22(27)13-20)32-10-8-28-9-11-32;26-21-12-19(3-5-23(21)31-9-7-27-8-10-31)32-24(33)6-2-17-13-28-22-4-1-16(11-20(22)25(17)32)18-14-29-30-15-18/h1-10,15-19,33H,11-14H2;2-7,12-16,31H,8-11H2,1H3;1-6,11-15,29H,7-10H2,(H2,28,31,32);2-7,12-16,28H,8-11H2,1H3;1-6,11-15,27H,7-10H2,(H,29,30).

What are the key properties of 9-(2-aminopyrimidin-5-yl)-1-(3-chloro-4-piperazin-1-ylphenyl)benzo[h][1,6]naphthyridin-2-one;1-(3-chloro-4-piperazin-1-ylphenyl)-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-(3-chloro-4-piperazin-1-ylphenyl)-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-(3-chloro-4-piperazin-1-ylphenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-(1-methylpyrazol-4-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one?

9-(2-aminopyrimidin-5-yl)-1-(3-chloro-4-piperazin-1-ylphenyl)benzo[h][1,6]naphthyridin-2-one;1-(3-chloro-4-piperazin-1-ylphenyl)-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-(3-chloro-4-piperazin-1-ylphenyl)-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-(3-chloro-4-piperazin-1-ylphenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-(1-methylpyrazol-4-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one has a molecular weight of 2434.40 g/mol, XLogP of 21.82, 15 rotatable bonds, 7 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(2-aminopyrimidin-5-yl)-1-(3-chloro-4-piperazin-1-ylphenyl)benzo[h][1,6]naphthyridin-2-one;1-(3-chloro-4-piperazin-1-ylphenyl)-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-(3-chloro-4-piperazin-1-ylphenyl)-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-(3-chloro-4-piperazin-1-ylphenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-(1-methylpyrazol-4-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one is sourced from PubChem (CID 160824561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).