9-(2-aminopyrimidin-5-yl)-1-(4-fluoro-3-methylphenyl)benzo[h][1,6]naphthyridin-2-one;4-[4-[9-(2-aminopyrimidin-5-yl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-2-(trifluoromethyl)phenyl]-N-(1-methylpiperidin-4-yl)benzamide;1-(4-fluoro-3-methylphenyl)-9-(6-isocyano-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluoro-3-methylphenyl)-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one

C107H78F6N20O5 — CID 159737514

IUPAC9-(2-aminopyrimidin-5-yl)-1-(4-fluoro-3-methylphenyl)benzo[h][1,6]naphthyridin-2-one;4-[4-[9-(2-aminopyrimidin-5-yl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-2-(trifluoromethyl)phenyl]-N-(1-methylpiperidin-4-yl)benzamide;1-(4-fluoro-3-methylphenyl)-9-(6-isocyano-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluoro-3-methylphenyl)-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one
SMILESCN1CCC(NC(=O)c2ccc(-c3ccc(-n4c(=O)ccc5cnc6ccc(-c7cnc(N)nc7)cc6c54)cc3C(F)(F)F)cc2)CC1.Cc1cc(-n2c(=O)ccc3cnc4ccc(-c5cnc(N)nc5)cc4c32)ccc1F.Cc1cc(-n2c(=O)ccc3cnc4ccc(-c5cnn(C)c5)cc4c32)ccc1F.[C-]#[N+]c1ccc(-c2ccc3ncc4ccc(=O)n(-c5ccc(F)c(C)c5)c4c3c2)cn1
InChIInChI=1S/C36H30F3N7O2.C25H15FN4O.C23H16FN5O.C23H17FN4O/c1-45-14-12-26(13-15-45)44-34(48)22-4-2-21(3-5-22)28-9-8-27(17-30(28)36(37,38)39)46-32(47)11-7-24-18-41-31-10-6-23(16-29(31)33(24)46)25-19-42-35(40)43-20-25;1-15-11-19(6-7-21(15)26)30-24(31)10-5-18-14-28-22-8-3-16(12-20(22)25(18)30)17-4-9-23(27-2)29-13-17;1-13-8-17(4-5-19(13)24)29-21(30)7-3-15-10-26-20-6-2-14(9-18(20)22(15)29)16-11-27-23(25)28-12-16;1-14-9-18(5-6-20(14)24)28-22(29)8-4-16-11-25-21-7-3-15(10-19(21)23(16)28)17-12-26-27(2)13-17/h2-11,16-20,26H,12-15H2,1H3,(H,44,48)(H2,40,42,43);3-14H,1H3;2-12H,1H3,(H2,25,27,28);3-13H,1-2H3
InChIKeyNCAGYTDDAVQXOF-UHFFFAOYSA-N
MW1837.92 g/mol
LogP20.10
Rot. Bonds11

About 9-(2-aminopyrimidin-5-yl)-1-(4-fluoro-3-methylphenyl)benzo[h][1,6]naphthyridin-2-one;4-[4-[9-(2-aminopyrimidin-5-yl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-2-(trifluoromethyl)phenyl]-N-(1-methylpiperidin-4-yl)benzamide;1-(4-fluoro-3-methylphenyl)-9-(6-isocyano-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluoro-3-methylphenyl)-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one

9-(2-aminopyrimidin-5-yl)-1-(4-fluoro-3-methylphenyl)benzo[h][1,6]naphthyridin-2-one;4-[4-[9-(2-aminopyrimidin-5-yl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-2-(trifluoromethyl)phenyl]-N-(1-methylpiperidin-4-yl)benzamide;1-(4-fluoro-3-methylphenyl)-9-(6-isocyano-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluoro-3-methylphenyl)-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one (PubChem CID 159737514) has the molecular formula C107H78F6N20O5 and a molecular weight of 1837.92 g/mol. Its IUPAC name is 9-(2-aminopyrimidin-5-yl)-1-(4-fluoro-3-methylphenyl)benzo[h][1,6]naphthyridin-2-one;4-[4-[9-(2-aminopyrimidin-5-yl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-2-(trifluoromethyl)phenyl]-N-(1-methylpiperidin-4-yl)benzamide;1-(4-fluoro-3-methylphenyl)-9-(6-isocyano-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluoro-3-methylphenyl)-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one.

Molecular Properties

Compound Name9-(2-aminopyrimidin-5-yl)-1-(4-fluoro-3-methylphenyl)benzo[h][1,6]naphthyridin-2-one;4-[4-[9-(2-aminopyrimidin-5-yl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-2-(trifluoromethyl)phenyl]-N-(1-methylpiperidin-4-yl)benzamide;1-(4-fluoro-3-methylphenyl)-9-(6-isocyano-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluoro-3-methylphenyl)-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one
PubChem CID159737514
Molecular FormulaC107H78F6N20O5
Molecular Weight1837.92 g/mol
Exact Mass1836.64
IUPAC Name9-(2-aminopyrimidin-5-yl)-1-(4-fluoro-3-methylphenyl)benzo[h][1,6]naphthyridin-2-one;4-[4-[9-(2-aminopyrimidin-5-yl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-2-(trifluoromethyl)phenyl]-N-(1-methylpiperidin-4-yl)benzamide;1-(4-fluoro-3-methylphenyl)-9-(6-isocyano-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluoro-3-methylphenyl)-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one
SMILESCN1CCC(NC(=O)c2ccc(-c3ccc(-n4c(=O)ccc5cnc6ccc(-c7cnc(N)nc7)cc6c54)cc3C(F)(F)F)cc2)CC1.Cc1cc(-n2c(=O)ccc3cnc4ccc(-c5cnc(N)nc5)cc4c32)ccc1F.Cc1cc(-n2c(=O)ccc3cnc4ccc(-c5cnn(C)c5)cc4c32)ccc1F.[C-]#[N+]c1ccc(-c2ccc3ncc4ccc(=O)n(-c5ccc(F)c(C)c5)c4c3c2)cn1
InChIInChI=1S/C36H30F3N7O2.C25H15FN4O.C23H16FN5O.C23H17FN4O/c1-45-14-12-26(13-15-45)44-34(48)22-4-2-21(3-5-22)28-9-8-27(17-30(28)36(37,38)39)46-32(47)11-7-24-18-41-31-10-6-23(16-29(31)33(24)46)25-19-42-35(40)43-20-25;1-15-11-19(6-7-21(15)26)30-24(31)10-5-18-14-28-22-8-3-16(12-20(22)25(18)30)17-4-9-23(27-2)29-13-17;1-13-8-17(4-5-19(13)24)29-21(30)7-3-15-10-26-20-6-2-14(9-18(20)22(15)29)16-11-27-23(25)28-12-16;1-14-9-18(5-6-20(14)24)28-22(29)8-4-16-11-25-21-7-3-15(10-19(21)23(16)28)17-12-26-27(2)13-17/h2-11,16-20,26H,12-15H2,1H3,(H,44,48)(H2,40,42,43);3-14H,1H3;2-12H,1H3,(H2,25,27,28);3-13H,1-2H3
InChIKeyNCAGYTDDAVQXOF-UHFFFAOYSA-N
XLogP20.10
TPSA310.57 Ų
H-Bond Donors3
H-Bond Acceptors23
Rotatable Bonds11
Heavy Atoms138
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001837.92
LogP ≤ 520.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

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

Analyze 9-(2-aminopyrimidin-5-yl)-1-(4-fluoro-3-methylphenyl)benzo[h][1,6]naphthyridin-2-one;4-[4-[9-(2-aminopyrimidin-5-yl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-2-(trifluoromethyl)phenyl]-N-(1-methylpiperidin-4-yl)benzamide;1-(4-fluoro-3-methylphenyl)-9-(6-isocyano-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluoro-3-methylphenyl)-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(6-(4-(2-(2-(Adamantan-1-yl)acetamido)ethyl)piperazin-1-yl)pyridin-3-yl)-N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-1-isopropyl-1H-indazole-4-carboxamide
CID 139211327
4-methyl-N-(2-methyl-3-(trifluoromethyl)phenyl)-3-(2-(1-methylpiperidin-4-ylamino)quinazolin-6-yl)benzamide
CID 16086077
4-[4-[9-(2-aminopyrimidin-5-yl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-2-(trifluoromethyl)phenyl]-N-(1-methylpiperidin-4-yl)benzamide
CID 56663021
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[6-[4-[5-(hydroxycarbamoyl)pyrimidin-2-yl]piperazin-1-yl]-3-pyridinyl]-1-propan-2-ylindazole-4-carboxamide
CID 168281629
N-[4-[[4-[5-[4-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-1-propan-2-ylindazol-6-yl]-2-pyridinyl]piperazin-1-yl]methyl]phenyl]-N'-hydroxyoctanediamide
CID 168281838
3-[2-[(1-methylpyrazol-4-yl)amino]quinazolin-6-yl]-4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 156038230
N-[(1S)-1-[3-[2-[(1-cyclopropylpyrazol-4-yl)amino]quinazolin-6-yl]-4-methylphenyl]ethyl]-3-(trifluoromethyl)benzamide
CID 156038242
4-cyclopropyl-3-[2-[(1-cyclopropylpyrazol-4-yl)amino]quinazolin-6-yl]-N-[1-[3-(trifluoromethyl)phenyl]propyl]benzamide
CID 156038252
N-[1-[3-[2-[(1-cyclopropylpyrazol-4-yl)amino]quinazolin-6-yl]-4-methylphenyl]ethyl]-3-(trifluoromethyl)benzamide
CID 156038271
4-methyl-3-[2-[(1-methylpyrazol-4-yl)amino]quinazolin-6-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 156038272
N-[1-[4-methyl-3-[2-[(1-methylpyrazol-4-yl)amino]quinazolin-6-yl]phenyl]propyl]-3-(trifluoromethyl)benzamide
CID 156038277
4-methyl-3-[2-[(1-methylpyrazol-4-yl)amino]quinazolin-6-yl]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 156038279

Frequently Asked Questions

What is the IUPAC name of 9-(2-aminopyrimidin-5-yl)-1-(4-fluoro-3-methylphenyl)benzo[h][1,6]naphthyridin-2-one;4-[4-[9-(2-aminopyrimidin-5-yl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-2-(trifluoromethyl)phenyl]-N-(1-methylpiperidin-4-yl)benzamide;1-(4-fluoro-3-methylphenyl)-9-(6-isocyano-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluoro-3-methylphenyl)-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one?
The IUPAC name of 9-(2-aminopyrimidin-5-yl)-1-(4-fluoro-3-methylphenyl)benzo[h][1,6]naphthyridin-2-one;4-[4-[9-(2-aminopyrimidin-5-yl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-2-(trifluoromethyl)phenyl]-N-(1-methylpiperidin-4-yl)benzamide;1-(4-fluoro-3-methylphenyl)-9-(6-isocyano-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluoro-3-methylphenyl)-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one (CID 159737514) is 9-(2-aminopyrimidin-5-yl)-1-(4-fluoro-3-methylphenyl)benzo[h][1,6]naphthyridin-2-one;4-[4-[9-(2-aminopyrimidin-5-yl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-2-(trifluoromethyl)phenyl]-N-(1-methylpiperidin-4-yl)benzamide;1-(4-fluoro-3-methylphenyl)-9-(6-isocyano-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluoro-3-methylphenyl)-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one.
What is the SMILES notation for 9-(2-aminopyrimidin-5-yl)-1-(4-fluoro-3-methylphenyl)benzo[h][1,6]naphthyridin-2-one;4-[4-[9-(2-aminopyrimidin-5-yl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-2-(trifluoromethyl)phenyl]-N-(1-methylpiperidin-4-yl)benzamide;1-(4-fluoro-3-methylphenyl)-9-(6-isocyano-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluoro-3-methylphenyl)-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one?
The canonical SMILES for 9-(2-aminopyrimidin-5-yl)-1-(4-fluoro-3-methylphenyl)benzo[h][1,6]naphthyridin-2-one;4-[4-[9-(2-aminopyrimidin-5-yl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-2-(trifluoromethyl)phenyl]-N-(1-methylpiperidin-4-yl)benzamide;1-(4-fluoro-3-methylphenyl)-9-(6-isocyano-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluoro-3-methylphenyl)-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one is CN1CCC(NC(=O)c2ccc(-c3ccc(-n4c(=O)ccc5cnc6ccc(-c7cnc(N)nc7)cc6c54)cc3C(F)(F)F)cc2)CC1.Cc1cc(-n2c(=O)ccc3cnc4ccc(-c5cnc(N)nc5)cc4c32)ccc1F.Cc1cc(-n2c(=O)ccc3cnc4ccc(-c5cnn(C)c5)cc4c32)ccc1F.[C-]#[N+]c1ccc(-c2ccc3ncc4ccc(=O)n(-c5ccc(F)c(C)c5)c4c3c2)cn1.
What is the InChIKey of 9-(2-aminopyrimidin-5-yl)-1-(4-fluoro-3-methylphenyl)benzo[h][1,6]naphthyridin-2-one;4-[4-[9-(2-aminopyrimidin-5-yl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-2-(trifluoromethyl)phenyl]-N-(1-methylpiperidin-4-yl)benzamide;1-(4-fluoro-3-methylphenyl)-9-(6-isocyano-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluoro-3-methylphenyl)-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one?
The InChIKey is NCAGYTDDAVQXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H30F3N7O2.C25H15FN4O.C23H16FN5O.C23H17FN4O/c1-45-14-12-26(13-15-45)44-34(48)22-4-2-21(3-5-22)28-9-8-27(17-30(28)36(37,38)39)46-32(47)11-7-24-18-41-31-10-6-23(16-29(31)33(24)46)25-19-42-35(40)43-20-25;1-15-11-19(6-7-21(15)26)30-24(31)10-5-18-14-28-22-8-3-16(12-20(22)25(18)30)17-4-9-23(27-2)29-13-17;1-13-8-17(4-5-19(13)24)29-21(30)7-3-15-10-26-20-6-2-14(9-18(20)22(15)29)16-11-27-23(25)28-12-16;1-14-9-18(5-6-20(14)24)28-22(29)8-4-16-11-25-21-7-3-15(10-19(21)23(16)28)17-12-26-27(2)13-17/h2-11,16-20,26H,12-15H2,1H3,(H,44,48)(H2,40,42,43);3-14H,1H3;2-12H,1H3,(H2,25,27,28);3-13H,1-2H3.
What are the key properties of 9-(2-aminopyrimidin-5-yl)-1-(4-fluoro-3-methylphenyl)benzo[h][1,6]naphthyridin-2-one;4-[4-[9-(2-aminopyrimidin-5-yl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-2-(trifluoromethyl)phenyl]-N-(1-methylpiperidin-4-yl)benzamide;1-(4-fluoro-3-methylphenyl)-9-(6-isocyano-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluoro-3-methylphenyl)-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one?
9-(2-aminopyrimidin-5-yl)-1-(4-fluoro-3-methylphenyl)benzo[h][1,6]naphthyridin-2-one;4-[4-[9-(2-aminopyrimidin-5-yl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-2-(trifluoromethyl)phenyl]-N-(1-methylpiperidin-4-yl)benzamide;1-(4-fluoro-3-methylphenyl)-9-(6-isocyano-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluoro-3-methylphenyl)-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one has a molecular weight of 1837.92 g/mol, XLogP of 20.10, 11 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-aminopyrimidin-5-yl)-1-(4-fluoro-3-methylphenyl)benzo[h][1,6]naphthyridin-2-one;4-[4-[9-(2-aminopyrimidin-5-yl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-2-(trifluoromethyl)phenyl]-N-(1-methylpiperidin-4-yl)benzamide;1-(4-fluoro-3-methylphenyl)-9-(6-isocyano-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluoro-3-methylphenyl)-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one is sourced from PubChem (CID 159737514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).