9-(6-amino-3-pyridinyl)-1-(2-chloro-4-fluorophenyl)benzo[h][1,6]naphthyridin-2-one;1-(2-chloro-4-fluorophenyl)-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-(2-chloro-4-fluorophenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[4-fluoro-2-(trifluoromethyl)phenyl]-9-(3-methyl-3a,7a-dihydro-1H-isoindol-5-yl)benzo[h][1,6]naphthyridin-2-one;9-(3-methyl-3a,7a-dihydro-1H-isoindol-5-yl)-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(3-methyl-2H-indazol-5-yl)-1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one

C162H111Cl3F13N23O7 — CID 159687937

About 9-(6-amino-3-pyridinyl)-1-(2-chloro-4-fluorophenyl)benzo[h][1,6]naphthyridin-2-one;1-(2-chloro-4-fluorophenyl)-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-(2-chloro-4-fluorophenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[4-fluoro-2-(trifluoromethyl)phenyl]-9-(3-methyl-3a,7a-dihydro-1H-isoindol-5-yl)benzo[h][1,6]naphthyridin-2-one;9-(3-methyl-3a,7a-dihydro-1H-isoindol-5-yl)-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(3-methyl-2H-indazol-5-yl)-1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one

9-(6-amino-3-pyridinyl)-1-(2-chloro-4-fluorophenyl)benzo[h][1,6]naphthyridin-2-one;1-(2-chloro-4-fluorophenyl)-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-(2-chloro-4-fluorophenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[4-fluoro-2-(trifluoromethyl)phenyl]-9-(3-methyl-3a,7a-dihydro-1H-isoindol-5-yl)benzo[h][1,6]naphthyridin-2-one;9-(3-methyl-3a,7a-dihydro-1H-isoindol-5-yl)-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(3-methyl-2H-indazol-5-yl)-1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one (PubChem CID 159687937) has the molecular formula C162H111Cl3F13N23O7 and a molecular weight of 2845.16 g/mol. Its IUPAC name is 9-(6-amino-3-pyridinyl)-1-(2-chloro-4-fluorophenyl)benzo[h][1,6]naphthyridin-2-one;1-(2-chloro-4-fluorophenyl)-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-(2-chloro-4-fluorophenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[4-fluoro-2-(trifluoromethyl)phenyl]-9-(3-methyl-3a,7a-dihydro-1H-isoindol-5-yl)benzo[h][1,6]naphthyridin-2-one;9-(3-methyl-3a,7a-dihydro-1H-isoindol-5-yl)-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(3-methyl-2H-indazol-5-yl)-1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one.

Molecular Properties

• Compound Name: 9-(6-amino-3-pyridinyl)-1-(2-chloro-4-fluorophenyl)benzo[h][1,6]naphthyridin-2-one;1-(2-chloro-4-fluorophenyl)-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-(2-chloro-4-fluorophenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[4-fluoro-2-(trifluoromethyl)phenyl]-9-(3-methyl-3a,7a-dihydro-1H-isoindol-5-yl)benzo[h][1,6]naphthyridin-2-one;9-(3-methyl-3a,7a-dihydro-1H-isoindol-5-yl)-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(3-methyl-2H-indazol-5-yl)-1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one
• PubChem CID: 159687937
• Molecular Formula: C162H111Cl3F13N23O7
• Molecular Weight: 2845.16 g/mol
• Exact Mass: 2841.79
• IUPAC Name: 9-(6-amino-3-pyridinyl)-1-(2-chloro-4-fluorophenyl)benzo[h][1,6]naphthyridin-2-one;1-(2-chloro-4-fluorophenyl)-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-(2-chloro-4-fluorophenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[4-fluoro-2-(trifluoromethyl)phenyl]-9-(3-methyl-3a,7a-dihydro-1H-isoindol-5-yl)benzo[h][1,6]naphthyridin-2-one;9-(3-methyl-3a,7a-dihydro-1H-isoindol-5-yl)-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(3-methyl-2H-indazol-5-yl)-1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one
• SMILES: CC1=NCC2C=CC(c3ccc4ncc5ccc(=O)n(-c6ccc(F)cc6C(F)(F)F)c5c4c3)=CC12.CC1=NCC2C=CC(c3ccc4ncc5ccc(=O)n(-c6cccc(C(F)(F)F)c6)c5c4c3)=CC12.CCC(=O)N1CCN(c2ccc(-n3c(=O)ccc4cnc5ccc(-c6ccc7n[nH]c(C)c7c6)cc5c43)cc2C(F)(F)F)CC1.Cn1cc(-c2ccc3ncc4ccc(=O)n(-c5ccc(F)cc5Cl)c4c3c2)cn1.Nc1ccc(-c2ccc3ncc4ccc(=O)n(-c5ccc(F)cc5Cl)c4c3c2)cn1.O=c1ccc2cnc3ccc(-c4cnc5ccccc5c4)cc3c2n1-c1ccc(F)cc1Cl
• InChI: InChI=1S/C34H29F3N6O2.C28H19F4N3O.C28H20F3N3O.C27H15ClFN3O.C23H14ClFN4O.C22H14ClFN4O/c1-3-31(44)42-14-12-41(13-15-42)30-10-7-24(18-27(30)34(35,36)37)43-32(45)11-6-23-19-38-28-8-4-22(17-26(28)33(23)43)21-5-9-29-25(16-21)20(2)39-40-29;1-15-21-10-16(2-3-18(21)13-33-15)17-4-7-24-22(11-17)27-19(14-34-24)5-9-26(36)35(27)25-8-6-20(29)12-23(25)28(30,31)32;1-16-23-11-17(5-6-19(23)14-32-16)18-7-9-25-24(12-18)27-20(15-33-25)8-10-26(35)34(27)22-4-2-3-21(13-22)28(29,30)31;28-22-13-20(29)7-9-25(22)32-26(33)10-6-18-14-31-24-8-5-16(12-21(24)27(18)32)19-11-17-3-1-2-4-23(17)30-15-19;24-18-10-16(25)4-6-20(18)29-22(30)8-3-15-12-27-19-5-1-13(9-17(19)23(15)29)14-2-7-21(26)28-11-14;1-27-12-15(11-26-27)13-2-5-19-17(8-13)22-14(10-25-19)3-7-21(29)28(22)20-6-4-16(24)9-18(20)23/h4-11,16-19H,3,12-15H2,1-2H3,(H,39,40);2-12,14,18,21H,13H2,1H3;2-13,15,19,23H,14H2,1H3;1-15H;1-12H,(H2,26,28);2-12H,1H3
• InChIKey: MWAPVACHBXLANH-UHFFFAOYSA-N
• XLogP: 35.30
• TPSA: 355.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 28
• Rotatable Bonds: 14
• Heavy Atoms: 208
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2845.16
LogP ≤ 5	35.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	28

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-(6-amino-3-pyridinyl)-1-(2-chloro-4-fluorophenyl)benzo[h][1,6]naphthyridin-2-one;1-(2-chloro-4-fluorophenyl)-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-(2-chloro-4-fluorophenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[4-fluoro-2-(trifluoromethyl)phenyl]-9-(3-methyl-3a,7a-dihydro-1H-isoindol-5-yl)benzo[h][1,6]naphthyridin-2-one;9-(3-methyl-3a,7a-dihydro-1H-isoindol-5-yl)-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(3-methyl-2H-indazol-5-yl)-1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one?

The IUPAC name of 9-(6-amino-3-pyridinyl)-1-(2-chloro-4-fluorophenyl)benzo[h][1,6]naphthyridin-2-one;1-(2-chloro-4-fluorophenyl)-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-(2-chloro-4-fluorophenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[4-fluoro-2-(trifluoromethyl)phenyl]-9-(3-methyl-3a,7a-dihydro-1H-isoindol-5-yl)benzo[h][1,6]naphthyridin-2-one;9-(3-methyl-3a,7a-dihydro-1H-isoindol-5-yl)-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(3-methyl-2H-indazol-5-yl)-1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one (CID 159687937) is 9-(6-amino-3-pyridinyl)-1-(2-chloro-4-fluorophenyl)benzo[h][1,6]naphthyridin-2-one;1-(2-chloro-4-fluorophenyl)-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-(2-chloro-4-fluorophenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[4-fluoro-2-(trifluoromethyl)phenyl]-9-(3-methyl-3a,7a-dihydro-1H-isoindol-5-yl)benzo[h][1,6]naphthyridin-2-one;9-(3-methyl-3a,7a-dihydro-1H-isoindol-5-yl)-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(3-methyl-2H-indazol-5-yl)-1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one.

What is the SMILES notation for 9-(6-amino-3-pyridinyl)-1-(2-chloro-4-fluorophenyl)benzo[h][1,6]naphthyridin-2-one;1-(2-chloro-4-fluorophenyl)-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-(2-chloro-4-fluorophenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[4-fluoro-2-(trifluoromethyl)phenyl]-9-(3-methyl-3a,7a-dihydro-1H-isoindol-5-yl)benzo[h][1,6]naphthyridin-2-one;9-(3-methyl-3a,7a-dihydro-1H-isoindol-5-yl)-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(3-methyl-2H-indazol-5-yl)-1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one?

The canonical SMILES for 9-(6-amino-3-pyridinyl)-1-(2-chloro-4-fluorophenyl)benzo[h][1,6]naphthyridin-2-one;1-(2-chloro-4-fluorophenyl)-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-(2-chloro-4-fluorophenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[4-fluoro-2-(trifluoromethyl)phenyl]-9-(3-methyl-3a,7a-dihydro-1H-isoindol-5-yl)benzo[h][1,6]naphthyridin-2-one;9-(3-methyl-3a,7a-dihydro-1H-isoindol-5-yl)-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(3-methyl-2H-indazol-5-yl)-1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one is CC1=NCC2C=CC(c3ccc4ncc5ccc(=O)n(-c6ccc(F)cc6C(F)(F)F)c5c4c3)=CC12.CC1=NCC2C=CC(c3ccc4ncc5ccc(=O)n(-c6cccc(C(F)(F)F)c6)c5c4c3)=CC12.CCC(=O)N1CCN(c2ccc(-n3c(=O)ccc4cnc5ccc(-c6ccc7n[nH]c(C)c7c6)cc5c43)cc2C(F)(F)F)CC1.Cn1cc(-c2ccc3ncc4ccc(=O)n(-c5ccc(F)cc5Cl)c4c3c2)cn1.Nc1ccc(-c2ccc3ncc4ccc(=O)n(-c5ccc(F)cc5Cl)c4c3c2)cn1.O=c1ccc2cnc3ccc(-c4cnc5ccccc5c4)cc3c2n1-c1ccc(F)cc1Cl.

What is the InChIKey of 9-(6-amino-3-pyridinyl)-1-(2-chloro-4-fluorophenyl)benzo[h][1,6]naphthyridin-2-one;1-(2-chloro-4-fluorophenyl)-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-(2-chloro-4-fluorophenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[4-fluoro-2-(trifluoromethyl)phenyl]-9-(3-methyl-3a,7a-dihydro-1H-isoindol-5-yl)benzo[h][1,6]naphthyridin-2-one;9-(3-methyl-3a,7a-dihydro-1H-isoindol-5-yl)-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(3-methyl-2H-indazol-5-yl)-1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one?

The InChIKey is MWAPVACHBXLANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H29F3N6O2.C28H19F4N3O.C28H20F3N3O.C27H15ClFN3O.C23H14ClFN4O.C22H14ClFN4O/c1-3-31(44)42-14-12-41(13-15-42)30-10-7-24(18-27(30)34(35,36)37)43-32(45)11-6-23-19-38-28-8-4-22(17-26(28)33(23)43)21-5-9-29-25(16-21)20(2)39-40-29;1-15-21-10-16(2-3-18(21)13-33-15)17-4-7-24-22(11-17)27-19(14-34-24)5-9-26(36)35(27)25-8-6-20(29)12-23(25)28(30,31)32;1-16-23-11-17(5-6-19(23)14-32-16)18-7-9-25-24(12-18)27-20(15-33-25)8-10-26(35)34(27)22-4-2-3-21(13-22)28(29,30)31;28-22-13-20(29)7-9-25(22)32-26(33)10-6-18-14-31-24-8-5-16(12-21(24)27(18)32)19-11-17-3-1-2-4-23(17)30-15-19;24-18-10-16(25)4-6-20(18)29-22(30)8-3-15-12-27-19-5-1-13(9-17(19)23(15)29)14-2-7-21(26)28-11-14;1-27-12-15(11-26-27)13-2-5-19-17(8-13)22-14(10-25-19)3-7-21(29)28(22)20-6-4-16(24)9-18(20)23/h4-11,16-19H,3,12-15H2,1-2H3,(H,39,40);2-12,14,18,21H,13H2,1H3;2-13,15,19,23H,14H2,1H3;1-15H;1-12H,(H2,26,28);2-12H,1H3.

What are the key properties of 9-(6-amino-3-pyridinyl)-1-(2-chloro-4-fluorophenyl)benzo[h][1,6]naphthyridin-2-one;1-(2-chloro-4-fluorophenyl)-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-(2-chloro-4-fluorophenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[4-fluoro-2-(trifluoromethyl)phenyl]-9-(3-methyl-3a,7a-dihydro-1H-isoindol-5-yl)benzo[h][1,6]naphthyridin-2-one;9-(3-methyl-3a,7a-dihydro-1H-isoindol-5-yl)-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(3-methyl-2H-indazol-5-yl)-1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one?

9-(6-amino-3-pyridinyl)-1-(2-chloro-4-fluorophenyl)benzo[h][1,6]naphthyridin-2-one;1-(2-chloro-4-fluorophenyl)-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-(2-chloro-4-fluorophenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[4-fluoro-2-(trifluoromethyl)phenyl]-9-(3-methyl-3a,7a-dihydro-1H-isoindol-5-yl)benzo[h][1,6]naphthyridin-2-one;9-(3-methyl-3a,7a-dihydro-1H-isoindol-5-yl)-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(3-methyl-2H-indazol-5-yl)-1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one has a molecular weight of 2845.16 g/mol, XLogP of 35.30, 14 rotatable bonds, 2 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(6-amino-3-pyridinyl)-1-(2-chloro-4-fluorophenyl)benzo[h][1,6]naphthyridin-2-one;1-(2-chloro-4-fluorophenyl)-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-(2-chloro-4-fluorophenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[4-fluoro-2-(trifluoromethyl)phenyl]-9-(3-methyl-3a,7a-dihydro-1H-isoindol-5-yl)benzo[h][1,6]naphthyridin-2-one;9-(3-methyl-3a,7a-dihydro-1H-isoindol-5-yl)-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(3-methyl-2H-indazol-5-yl)-1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one is sourced from PubChem (CID 159687937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).