bis(9-(6-amino-3-pyridinyl)-1-(4-fluorophenyl)benzo[h][1,6]naphthyridin-2-one);1-(4-fluoro-2-methylphenyl)-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluorophenyl)-9-(4-methylimidazol-1-yl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluorophenyl)-9-(6-oxo-1H-pyridin-3-yl)benzo[h][1,6]naphthyridin-2-one;1-[4-fluoro-3-(trifluoromethyl)phenyl]-9-(1H-isoindol-5-yl)benzo[h][1,6]naphthyridin-2-one

C141H91F9N22O7 — CID 159192967

IUPACbis(9-(6-amino-3-pyridinyl)-1-(4-fluorophenyl)benzo[h][1,6]naphthyridin-2-one);1-(4-fluoro-2-methylphenyl)-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluorophenyl)-9-(4-methylimidazol-1-yl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluorophenyl)-9-(6-oxo-1H-pyridin-3-yl)benzo[h][1,6]naphthyridin-2-one;1-[4-fluoro-3-(trifluoromethyl)phenyl]-9-(1H-isoindol-5-yl)benzo[h][1,6]naphthyridin-2-one
SMILESCc1cc(F)ccc1-n1c(=O)ccc2cnc3ccc(-c4cnn(C)c4)cc3c21.Cc1cn(-c2ccc3ncc4ccc(=O)n(-c5ccc(F)cc5)c4c3c2)cn1.Nc1ccc(-c2ccc3ncc4ccc(=O)n(-c5ccc(F)cc5)c4c3c2)cn1.Nc1ccc(-c2ccc3ncc4ccc(=O)n(-c5ccc(F)cc5)c4c3c2)cn1.O=c1ccc(-c2ccc3ncc4ccc(=O)n(-c5ccc(F)cc5)c4c3c2)c[nH]1.O=c1ccc2cnc3ccc(-c4ccc5c(c4)C=NC5)cc3c2n1-c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C27H15F4N3O.2C23H15FN4O.C23H17FN4O.C23H14FN3O2.C22H15FN4O/c28-23-6-5-20(11-22(23)27(29,30)31)34-25(35)8-4-18-14-33-24-7-3-16(10-21(24)26(18)34)15-1-2-17-12-32-13-19(17)9-15;2*24-17-4-6-18(7-5-17)28-22(29)10-3-16-13-26-20-8-1-14(11-19(20)23(16)28)15-2-9-21(25)27-12-15;1-14-9-18(24)5-7-21(14)28-22(29)8-4-16-11-25-20-6-3-15(10-19(20)23(16)28)17-12-26-27(2)13-17;24-17-4-6-18(7-5-17)27-22(29)10-3-16-13-25-20-8-1-14(11-19(20)23(16)27)15-2-9-21(28)26-12-15;1-14-12-26(13-25-14)18-7-8-20-19(10-18)22-15(11-24-20)2-9-21(28)27(22)17-5-3-16(23)4-6-17/h1-11,13-14H,12H2;2*1-13H,(H2,25,27);3-13H,1-2H3;1-13H,(H,26,28);2-13H,1H3
InChIKeyKOHYLBJVHQRDRZ-UHFFFAOYSA-N
MW2376.41 g/mol
LogP27.53
Rot. Bonds12

About bis(9-(6-amino-3-pyridinyl)-1-(4-fluorophenyl)benzo[h][1,6]naphthyridin-2-one);1-(4-fluoro-2-methylphenyl)-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluorophenyl)-9-(4-methylimidazol-1-yl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluorophenyl)-9-(6-oxo-1H-pyridin-3-yl)benzo[h][1,6]naphthyridin-2-one;1-[4-fluoro-3-(trifluoromethyl)phenyl]-9-(1H-isoindol-5-yl)benzo[h][1,6]naphthyridin-2-one

bis(9-(6-amino-3-pyridinyl)-1-(4-fluorophenyl)benzo[h][1,6]naphthyridin-2-one);1-(4-fluoro-2-methylphenyl)-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluorophenyl)-9-(4-methylimidazol-1-yl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluorophenyl)-9-(6-oxo-1H-pyridin-3-yl)benzo[h][1,6]naphthyridin-2-one;1-[4-fluoro-3-(trifluoromethyl)phenyl]-9-(1H-isoindol-5-yl)benzo[h][1,6]naphthyridin-2-one (PubChem CID 159192967) has the molecular formula C141H91F9N22O7 and a molecular weight of 2376.41 g/mol. Its IUPAC name is bis(9-(6-amino-3-pyridinyl)-1-(4-fluorophenyl)benzo[h][1,6]naphthyridin-2-one);1-(4-fluoro-2-methylphenyl)-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluorophenyl)-9-(4-methylimidazol-1-yl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluorophenyl)-9-(6-oxo-1H-pyridin-3-yl)benzo[h][1,6]naphthyridin-2-one;1-[4-fluoro-3-(trifluoromethyl)phenyl]-9-(1H-isoindol-5-yl)benzo[h][1,6]naphthyridin-2-one.

Molecular Properties

Compound Namebis(9-(6-amino-3-pyridinyl)-1-(4-fluorophenyl)benzo[h][1,6]naphthyridin-2-one);1-(4-fluoro-2-methylphenyl)-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluorophenyl)-9-(4-methylimidazol-1-yl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluorophenyl)-9-(6-oxo-1H-pyridin-3-yl)benzo[h][1,6]naphthyridin-2-one;1-[4-fluoro-3-(trifluoromethyl)phenyl]-9-(1H-isoindol-5-yl)benzo[h][1,6]naphthyridin-2-one
PubChem CID159192967
Molecular FormulaC141H91F9N22O7
Molecular Weight2376.41 g/mol
Exact Mass2374.73
IUPAC Namebis(9-(6-amino-3-pyridinyl)-1-(4-fluorophenyl)benzo[h][1,6]naphthyridin-2-one);1-(4-fluoro-2-methylphenyl)-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluorophenyl)-9-(4-methylimidazol-1-yl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluorophenyl)-9-(6-oxo-1H-pyridin-3-yl)benzo[h][1,6]naphthyridin-2-one;1-[4-fluoro-3-(trifluoromethyl)phenyl]-9-(1H-isoindol-5-yl)benzo[h][1,6]naphthyridin-2-one
SMILESCc1cc(F)ccc1-n1c(=O)ccc2cnc3ccc(-c4cnn(C)c4)cc3c21.Cc1cn(-c2ccc3ncc4ccc(=O)n(-c5ccc(F)cc5)c4c3c2)cn1.Nc1ccc(-c2ccc3ncc4ccc(=O)n(-c5ccc(F)cc5)c4c3c2)cn1.Nc1ccc(-c2ccc3ncc4ccc(=O)n(-c5ccc(F)cc5)c4c3c2)cn1.O=c1ccc(-c2ccc3ncc4ccc(=O)n(-c5ccc(F)cc5)c4c3c2)c[nH]1.O=c1ccc2cnc3ccc(-c4ccc5c(c4)C=NC5)cc3c2n1-c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C27H15F4N3O.2C23H15FN4O.C23H17FN4O.C23H14FN3O2.C22H15FN4O/c28-23-6-5-20(11-22(23)27(29,30)31)34-25(35)8-4-18-14-33-24-7-3-16(10-21(24)26(18)34)15-1-2-17-12-32-13-19(17)9-15;2*24-17-4-6-18(7-5-17)28-22(29)10-3-16-13-26-20-8-1-14(11-19(20)23(16)28)15-2-9-21(25)27-12-15;1-14-9-18(24)5-7-21(14)28-22(29)8-4-16-11-25-20-6-3-15(10-19(20)23(16)28)17-12-26-27(2)13-17;24-17-4-6-18(7-5-17)27-22(29)10-3-16-13-25-20-8-1-14(11-19(20)23(16)27)15-2-9-21(28)26-12-15;1-14-12-26(13-25-14)18-7-8-20-19(10-18)22-15(11-24-20)2-9-21(28)27(22)17-5-3-16(23)4-6-17/h1-11,13-14H,12H2;2*1-13H,(H2,25,27);3-13H,1-2H3;1-13H,(H,26,28);2-13H,1H3
InChIKeyKOHYLBJVHQRDRZ-UHFFFAOYSA-N
XLogP27.53
TPSA368.02 Ų
H-Bond Donors3
H-Bond Acceptors28
Rotatable Bonds12
Heavy Atoms179
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002376.41
LogP ≤ 527.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

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

Analyze bis(9-(6-amino-3-pyridinyl)-1-(4-fluorophenyl)benzo[h][1,6]naphthyridin-2-one);1-(4-fluoro-2-methylphenyl)-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluorophenyl)-9-(4-methylimidazol-1-yl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluorophenyl)-9-(6-oxo-1H-pyridin-3-yl)benzo[h][1,6]naphthyridin-2-one;1-[4-fluoro-3-(trifluoromethyl)phenyl]-9-(1H-isoindol-5-yl)benzo[h][1,6]naphthyridin-2-one with MolForge

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Related Compounds

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CID 137533716
US10899769, Example 79
CID 139558291
4,4,4-trifluoro-N-[4-[[2-(2-phenylethyl)benzo[e]indazol-5-yl]amino]pyrido[3,4-d]pyrimidin-6-yl]but-2-enamide
CID 53783704
N-[4-[(2-benzylbenzo[e]indazol-5-yl)amino]pyrido[3,4-d]pyrimidin-6-yl]-4,4,4-trifluorobut-2-enamide
CID 54156917
N-[4-[(2-benzylbenzo[e]indazol-5-yl)amino]pyrido[3,4-d]pyrimidin-6-yl]-4,4-difluoro-8-morpholin-4-yloct-2-enamide
CID 54392940
1-[4-[4-(5-fluoropyrimidin-2-yl)phenyl]piperazin-1-yl]-2-[(3R)-3-(3-pyridin-4-yl-1-tritylpyrazolo[5,4-g]quinazolin-6-yl)pyrrolidin-1-yl]ethanone
CID 58142830
1-[4-(4-methylimidazol-1-yl)-3-(trifluoromethyl)phenyl]-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one
CID 58524969
1-{4-[4-(5-Fluoro-pyrimidin-2-yl)-phenyl]-piperazin-1-yl}-2-[3-(3-pyridin-4-yl-1-trityl-1H-pyrazolo[3,4-g]quinazolin-6-yl)-pyrrolidin-1-yl]-ethanone
CID 66939769
N-[4-[(2-benzylbenzo[g]indazol-5-yl)amino]pyrido[3,4-d]pyrimidin-6-yl]-4,4,4-trifluorobut-2-enamide
CID 69996842
4,4,4-trifluoro-N-[4-[[2-(2-phenylethyl)benzo[g]indazol-5-yl]amino]pyrido[3,4-d]pyrimidin-6-yl]but-2-enamide
CID 69997440
4-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-3-[4-[2-(4-imidazol-1-ylanilino)pyrimidin-4-yl]pyrazol-1-yl]butanenitrile;3-[3-(dimethylamino)propylamino]-N-[6-methyl-5-(9H-pyrimido[4,5-b]indol-7-yl)-3-pyridinyl]-5-(trifluoromethyl)benzamide
CID 89905037
3-[[6-(3,3-difluoropyrrolidin-1-yl)-1-[[2-[[6-(3,3-difluoropyrrolidin-1-yl)pyrimido[5,4-d]pyrimidin-4-yl]amino]-4-[[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]methyl]pyrimido[5,4-d]pyrimidin-1-ium-4-yl]amino]-4-methyl-N-[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide
CID 90992497

Frequently Asked Questions

What is the IUPAC name of bis(9-(6-amino-3-pyridinyl)-1-(4-fluorophenyl)benzo[h][1,6]naphthyridin-2-one);1-(4-fluoro-2-methylphenyl)-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluorophenyl)-9-(4-methylimidazol-1-yl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluorophenyl)-9-(6-oxo-1H-pyridin-3-yl)benzo[h][1,6]naphthyridin-2-one;1-[4-fluoro-3-(trifluoromethyl)phenyl]-9-(1H-isoindol-5-yl)benzo[h][1,6]naphthyridin-2-one?
The IUPAC name of bis(9-(6-amino-3-pyridinyl)-1-(4-fluorophenyl)benzo[h][1,6]naphthyridin-2-one);1-(4-fluoro-2-methylphenyl)-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluorophenyl)-9-(4-methylimidazol-1-yl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluorophenyl)-9-(6-oxo-1H-pyridin-3-yl)benzo[h][1,6]naphthyridin-2-one;1-[4-fluoro-3-(trifluoromethyl)phenyl]-9-(1H-isoindol-5-yl)benzo[h][1,6]naphthyridin-2-one (CID 159192967) is bis(9-(6-amino-3-pyridinyl)-1-(4-fluorophenyl)benzo[h][1,6]naphthyridin-2-one);1-(4-fluoro-2-methylphenyl)-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluorophenyl)-9-(4-methylimidazol-1-yl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluorophenyl)-9-(6-oxo-1H-pyridin-3-yl)benzo[h][1,6]naphthyridin-2-one;1-[4-fluoro-3-(trifluoromethyl)phenyl]-9-(1H-isoindol-5-yl)benzo[h][1,6]naphthyridin-2-one.
What is the SMILES notation for bis(9-(6-amino-3-pyridinyl)-1-(4-fluorophenyl)benzo[h][1,6]naphthyridin-2-one);1-(4-fluoro-2-methylphenyl)-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluorophenyl)-9-(4-methylimidazol-1-yl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluorophenyl)-9-(6-oxo-1H-pyridin-3-yl)benzo[h][1,6]naphthyridin-2-one;1-[4-fluoro-3-(trifluoromethyl)phenyl]-9-(1H-isoindol-5-yl)benzo[h][1,6]naphthyridin-2-one?
The canonical SMILES for bis(9-(6-amino-3-pyridinyl)-1-(4-fluorophenyl)benzo[h][1,6]naphthyridin-2-one);1-(4-fluoro-2-methylphenyl)-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluorophenyl)-9-(4-methylimidazol-1-yl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluorophenyl)-9-(6-oxo-1H-pyridin-3-yl)benzo[h][1,6]naphthyridin-2-one;1-[4-fluoro-3-(trifluoromethyl)phenyl]-9-(1H-isoindol-5-yl)benzo[h][1,6]naphthyridin-2-one is Cc1cc(F)ccc1-n1c(=O)ccc2cnc3ccc(-c4cnn(C)c4)cc3c21.Cc1cn(-c2ccc3ncc4ccc(=O)n(-c5ccc(F)cc5)c4c3c2)cn1.Nc1ccc(-c2ccc3ncc4ccc(=O)n(-c5ccc(F)cc5)c4c3c2)cn1.Nc1ccc(-c2ccc3ncc4ccc(=O)n(-c5ccc(F)cc5)c4c3c2)cn1.O=c1ccc(-c2ccc3ncc4ccc(=O)n(-c5ccc(F)cc5)c4c3c2)c[nH]1.O=c1ccc2cnc3ccc(-c4ccc5c(c4)C=NC5)cc3c2n1-c1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of bis(9-(6-amino-3-pyridinyl)-1-(4-fluorophenyl)benzo[h][1,6]naphthyridin-2-one);1-(4-fluoro-2-methylphenyl)-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluorophenyl)-9-(4-methylimidazol-1-yl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluorophenyl)-9-(6-oxo-1H-pyridin-3-yl)benzo[h][1,6]naphthyridin-2-one;1-[4-fluoro-3-(trifluoromethyl)phenyl]-9-(1H-isoindol-5-yl)benzo[h][1,6]naphthyridin-2-one?
The InChIKey is KOHYLBJVHQRDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H15F4N3O.2C23H15FN4O.C23H17FN4O.C23H14FN3O2.C22H15FN4O/c28-23-6-5-20(11-22(23)27(29,30)31)34-25(35)8-4-18-14-33-24-7-3-16(10-21(24)26(18)34)15-1-2-17-12-32-13-19(17)9-15;2*24-17-4-6-18(7-5-17)28-22(29)10-3-16-13-26-20-8-1-14(11-19(20)23(16)28)15-2-9-21(25)27-12-15;1-14-9-18(24)5-7-21(14)28-22(29)8-4-16-11-25-20-6-3-15(10-19(20)23(16)28)17-12-26-27(2)13-17;24-17-4-6-18(7-5-17)27-22(29)10-3-16-13-25-20-8-1-14(11-19(20)23(16)27)15-2-9-21(28)26-12-15;1-14-12-26(13-25-14)18-7-8-20-19(10-18)22-15(11-24-20)2-9-21(28)27(22)17-5-3-16(23)4-6-17/h1-11,13-14H,12H2;2*1-13H,(H2,25,27);3-13H,1-2H3;1-13H,(H,26,28);2-13H,1H3.
What are the key properties of bis(9-(6-amino-3-pyridinyl)-1-(4-fluorophenyl)benzo[h][1,6]naphthyridin-2-one);1-(4-fluoro-2-methylphenyl)-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluorophenyl)-9-(4-methylimidazol-1-yl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluorophenyl)-9-(6-oxo-1H-pyridin-3-yl)benzo[h][1,6]naphthyridin-2-one;1-[4-fluoro-3-(trifluoromethyl)phenyl]-9-(1H-isoindol-5-yl)benzo[h][1,6]naphthyridin-2-one?
bis(9-(6-amino-3-pyridinyl)-1-(4-fluorophenyl)benzo[h][1,6]naphthyridin-2-one);1-(4-fluoro-2-methylphenyl)-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluorophenyl)-9-(4-methylimidazol-1-yl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluorophenyl)-9-(6-oxo-1H-pyridin-3-yl)benzo[h][1,6]naphthyridin-2-one;1-[4-fluoro-3-(trifluoromethyl)phenyl]-9-(1H-isoindol-5-yl)benzo[h][1,6]naphthyridin-2-one has a molecular weight of 2376.41 g/mol, XLogP of 27.53, 12 rotatable bonds, 3 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for bis(9-(6-amino-3-pyridinyl)-1-(4-fluorophenyl)benzo[h][1,6]naphthyridin-2-one);1-(4-fluoro-2-methylphenyl)-9-(1-methylpyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluorophenyl)-9-(4-methylimidazol-1-yl)benzo[h][1,6]naphthyridin-2-one;1-(4-fluorophenyl)-9-(6-oxo-1H-pyridin-3-yl)benzo[h][1,6]naphthyridin-2-one;1-[4-fluoro-3-(trifluoromethyl)phenyl]-9-(1H-isoindol-5-yl)benzo[h][1,6]naphthyridin-2-one is sourced from PubChem (CID 159192967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).