9-(6-amino-3-pyridinyl)-1-[4-fluoro-2-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-(2-chloro-4-fluorophenyl)-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-[4-fluoro-2-(trifluoromethyl)phenyl]-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-[4-fluoro-2-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-(2-methyl-1,3-dihydroisoindol-5-yl)-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one

C121H76ClF13N20O5 — CID 159444079

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

9-(6-amino-3-pyridinyl)-1-[4-fluoro-2-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-(2-chloro-4-fluorophenyl)-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-[4-fluoro-2-(trifluoromethyl)phenyl]-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-[4-fluoro-2-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-(2-methyl-1,3-dihydroisoindol-5-yl)-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one (PubChem CID 159444079) has the molecular formula C121H76ClF13N20O5 and a molecular weight of 2172.50 g/mol. Its IUPAC name is 9-(6-amino-3-pyridinyl)-1-[4-fluoro-2-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-(2-chloro-4-fluorophenyl)-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-[4-fluoro-2-(trifluoromethyl)phenyl]-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-[4-fluoro-2-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-(2-methyl-1,3-dihydroisoindol-5-yl)-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one.

Molecular Properties

• Compound Name: 9-(6-amino-3-pyridinyl)-1-[4-fluoro-2-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-(2-chloro-4-fluorophenyl)-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-[4-fluoro-2-(trifluoromethyl)phenyl]-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-[4-fluoro-2-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-(2-methyl-1,3-dihydroisoindol-5-yl)-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one
• PubChem CID: 159444079
• Molecular Formula: C121H76ClF13N20O5
• Molecular Weight: 2172.50 g/mol
• Exact Mass: 2170.58
• IUPAC Name: 9-(6-amino-3-pyridinyl)-1-[4-fluoro-2-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-(2-chloro-4-fluorophenyl)-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-[4-fluoro-2-(trifluoromethyl)phenyl]-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-[4-fluoro-2-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-(2-methyl-1,3-dihydroisoindol-5-yl)-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one
• SMILES: CN1Cc2ccc(-n3c(=O)ccc4cnc5ccc(-c6cnn(C)c6)cc5c43)cc2C1.Cn1cc(-c2ccc3ncc4ccc(=O)n(-c5ccc(F)cc5C(F)(F)F)c4c3c2)cn1.Nc1ccc(-c2ccc3ncc4ccc(=O)n(-c5ccc(F)cc5C(F)(F)F)c4c3c2)cn1.O=c1ccc2cnc3ccc(-c4cn[nH]c4)cc3c2n1-c1ccc(F)cc1Cl.O=c1ccc2cnc3ccc(-c4cnc5ccccc5c4)cc3c2n1-c1ccc(F)cc1C(F)(F)F
• InChI: InChI=1S/C28H15F4N3O.C25H21N5O.C24H14F4N4O.C23H14F4N4O.C21H12ClFN4O/c29-20-7-9-25(22(13-20)28(30,31)32)35-26(36)10-6-18-14-34-24-8-5-16(12-21(24)27(18)35)19-11-17-3-1-2-4-23(17)33-15-19;1-28-13-18-3-6-21(9-19(18)14-28)30-24(31)8-5-17-11-26-23-7-4-16(10-22(23)25(17)30)20-12-27-29(2)15-20;25-16-4-6-20(18(10-16)24(26,27)28)32-22(33)8-3-15-12-30-19-5-1-13(9-17(19)23(15)32)14-2-7-21(29)31-11-14;1-30-12-15(11-29-30)13-2-5-19-17(8-13)22-14(10-28-19)3-7-21(32)31(22)20-6-4-16(24)9-18(20)23(25,26)27;22-17-8-15(23)3-5-19(17)27-20(28)6-2-13-9-24-18-4-1-12(7-16(18)21(13)27)14-10-25-26-11-14/h1-15H;3-12,15H,13-14H2,1-2H3;1-12H,(H2,29,31);2-12H,1H3;1-11H,(H,25,26)
• InChIKey: LSNUOBQKHLVRBI-UHFFFAOYSA-N
• XLogP: 25.96
• TPSA: 293.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 24
• Rotatable Bonds: 10
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2172.50
LogP ≤ 5	25.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	24

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

The IUPAC name of 9-(6-amino-3-pyridinyl)-1-[4-fluoro-2-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-(2-chloro-4-fluorophenyl)-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-[4-fluoro-2-(trifluoromethyl)phenyl]-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-[4-fluoro-2-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-(2-methyl-1,3-dihydroisoindol-5-yl)-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one (CID 159444079) is 9-(6-amino-3-pyridinyl)-1-[4-fluoro-2-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-(2-chloro-4-fluorophenyl)-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-[4-fluoro-2-(trifluoromethyl)phenyl]-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-[4-fluoro-2-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-(2-methyl-1,3-dihydroisoindol-5-yl)-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one.

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

The canonical SMILES for 9-(6-amino-3-pyridinyl)-1-[4-fluoro-2-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-(2-chloro-4-fluorophenyl)-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-[4-fluoro-2-(trifluoromethyl)phenyl]-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-[4-fluoro-2-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-(2-methyl-1,3-dihydroisoindol-5-yl)-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one is CN1Cc2ccc(-n3c(=O)ccc4cnc5ccc(-c6cnn(C)c6)cc5c43)cc2C1.Cn1cc(-c2ccc3ncc4ccc(=O)n(-c5ccc(F)cc5C(F)(F)F)c4c3c2)cn1.Nc1ccc(-c2ccc3ncc4ccc(=O)n(-c5ccc(F)cc5C(F)(F)F)c4c3c2)cn1.O=c1ccc2cnc3ccc(-c4cn[nH]c4)cc3c2n1-c1ccc(F)cc1Cl.O=c1ccc2cnc3ccc(-c4cnc5ccccc5c4)cc3c2n1-c1ccc(F)cc1C(F)(F)F.

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

The InChIKey is LSNUOBQKHLVRBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H15F4N3O.C25H21N5O.C24H14F4N4O.C23H14F4N4O.C21H12ClFN4O/c29-20-7-9-25(22(13-20)28(30,31)32)35-26(36)10-6-18-14-34-24-8-5-16(12-21(24)27(18)35)19-11-17-3-1-2-4-23(17)33-15-19;1-28-13-18-3-6-21(9-19(18)14-28)30-24(31)8-5-17-11-26-23-7-4-16(10-22(23)25(17)30)20-12-27-29(2)15-20;25-16-4-6-20(18(10-16)24(26,27)28)32-22(33)8-3-15-12-30-19-5-1-13(9-17(19)23(15)32)14-2-7-21(29)31-11-14;1-30-12-15(11-29-30)13-2-5-19-17(8-13)22-14(10-28-19)3-7-21(32)31(22)20-6-4-16(24)9-18(20)23(25,26)27;22-17-8-15(23)3-5-19(17)27-20(28)6-2-13-9-24-18-4-1-12(7-16(18)21(13)27)14-10-25-26-11-14/h1-15H;3-12,15H,13-14H2,1-2H3;1-12H,(H2,29,31);2-12H,1H3;1-11H,(H,25,26).

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

9-(6-amino-3-pyridinyl)-1-[4-fluoro-2-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-(2-chloro-4-fluorophenyl)-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-[4-fluoro-2-(trifluoromethyl)phenyl]-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-[4-fluoro-2-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-(2-methyl-1,3-dihydroisoindol-5-yl)-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one has a molecular weight of 2172.50 g/mol, XLogP of 25.96, 10 rotatable bonds, 2 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(6-amino-3-pyridinyl)-1-[4-fluoro-2-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-(2-chloro-4-fluorophenyl)-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-[4-fluoro-2-(trifluoromethyl)phenyl]-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-[4-fluoro-2-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-(2-methyl-1,3-dihydroisoindol-5-yl)-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one is sourced from PubChem (CID 159444079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).