7-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-fluoro-2-(3-fluoroanilino)-1-(3-fluorophenyl)-1,8-naphthyridin-4-one;2-(3-fluoroanilino)-1-(3-fluorophenyl)-7-morpholin-4-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-(4-fluoroanilino)-1-(4-fluorophenyl)-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one

C75H60F13N11O6 — CID 161203863

IUPAC7-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-fluoro-2-(3-fluoroanilino)-1-(3-fluorophenyl)-1,8-naphthyridin-4-one;2-(3-fluoroanilino)-1-(3-fluorophenyl)-7-morpholin-4-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-(4-fluoroanilino)-1-(4-fluorophenyl)-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one
SMILESCC(C)Oc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccc(F)cc3)n(-c3ccc(F)cc3)c2n1.C[C@@H]1CN(c2nc3c(cc2F)c(=O)cc(Nc2cccc(F)c2)n3-c2cccc(F)c2)C[C@H](C)O1.O=c1cc(Nc2cccc(F)c2)n(-c2cccc(F)c2)c2nc(N3CCOCC3)cc(C(F)(F)F)c12
InChIInChI=1S/C26H23F3N4O2.C25H19F5N4O2.C24H18F5N3O2/c1-15-13-32(14-16(2)35-15)26-22(29)11-21-23(34)12-24(30-19-7-3-5-17(27)9-19)33(25(21)31-26)20-8-4-6-18(28)10-20;26-15-3-1-5-17(11-15)31-22-14-20(35)23-19(25(28,29)30)13-21(33-7-9-36-10-8-33)32-24(23)34(22)18-6-2-4-16(27)12-18;1-13(2)34-21-11-18(24(27,28)29)22-19(33)12-20(30-16-7-3-14(25)4-8-16)32(23(22)31-21)17-9-5-15(26)6-10-17/h3-12,15-16,30H,13-14H2,1-2H3;1-6,11-14,31H,7-10H2;3-13,30H,1-2H3/t15-,16+;;
InChIKeyUVINBLWAPPDVOZ-TYIJTUDGSA-N
MW1458.35 g/mol
LogP16.64
Rot. Bonds13

About 7-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-fluoro-2-(3-fluoroanilino)-1-(3-fluorophenyl)-1,8-naphthyridin-4-one;2-(3-fluoroanilino)-1-(3-fluorophenyl)-7-morpholin-4-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-(4-fluoroanilino)-1-(4-fluorophenyl)-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one

7-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-fluoro-2-(3-fluoroanilino)-1-(3-fluorophenyl)-1,8-naphthyridin-4-one;2-(3-fluoroanilino)-1-(3-fluorophenyl)-7-morpholin-4-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-(4-fluoroanilino)-1-(4-fluorophenyl)-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one (PubChem CID 161203863) has the molecular formula C75H60F13N11O6 and a molecular weight of 1458.35 g/mol. Its IUPAC name is 7-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-fluoro-2-(3-fluoroanilino)-1-(3-fluorophenyl)-1,8-naphthyridin-4-one;2-(3-fluoroanilino)-1-(3-fluorophenyl)-7-morpholin-4-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-(4-fluoroanilino)-1-(4-fluorophenyl)-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name7-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-fluoro-2-(3-fluoroanilino)-1-(3-fluorophenyl)-1,8-naphthyridin-4-one;2-(3-fluoroanilino)-1-(3-fluorophenyl)-7-morpholin-4-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-(4-fluoroanilino)-1-(4-fluorophenyl)-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one
PubChem CID161203863
Molecular FormulaC75H60F13N11O6
Molecular Weight1458.35 g/mol
Exact Mass1457.45
IUPAC Name7-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-fluoro-2-(3-fluoroanilino)-1-(3-fluorophenyl)-1,8-naphthyridin-4-one;2-(3-fluoroanilino)-1-(3-fluorophenyl)-7-morpholin-4-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-(4-fluoroanilino)-1-(4-fluorophenyl)-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one
SMILESCC(C)Oc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccc(F)cc3)n(-c3ccc(F)cc3)c2n1.C[C@@H]1CN(c2nc3c(cc2F)c(=O)cc(Nc2cccc(F)c2)n3-c2cccc(F)c2)C[C@H](C)O1.O=c1cc(Nc2cccc(F)c2)n(-c2cccc(F)c2)c2nc(N3CCOCC3)cc(C(F)(F)F)c12
InChIInChI=1S/C26H23F3N4O2.C25H19F5N4O2.C24H18F5N3O2/c1-15-13-32(14-16(2)35-15)26-22(29)11-21-23(34)12-24(30-19-7-3-5-17(27)9-19)33(25(21)31-26)20-8-4-6-18(28)10-20;26-15-3-1-5-17(11-15)31-22-14-20(35)23-19(25(28,29)30)13-21(33-7-9-36-10-8-33)32-24(23)34(22)18-6-2-4-16(27)12-18;1-13(2)34-21-11-18(24(27,28)29)22-19(33)12-20(30-16-7-3-14(25)4-8-16)32(23(22)31-21)17-9-5-15(26)6-10-17/h3-12,15-16,30H,13-14H2,1-2H3;1-6,11-14,31H,7-10H2;3-13,30H,1-2H3/t15-,16+;;
InChIKeyUVINBLWAPPDVOZ-TYIJTUDGSA-N
XLogP16.64
TPSA174.93 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds13
Heavy Atoms105
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001458.35
LogP ≤ 516.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1017

Analyze 7-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-fluoro-2-(3-fluoroanilino)-1-(3-fluorophenyl)-1,8-naphthyridin-4-one;2-(3-fluoroanilino)-1-(3-fluorophenyl)-7-morpholin-4-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-(4-fluoroanilino)-1-(4-fluorophenyl)-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one with MolForge

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Related Compounds

2-Anilino-1-phenyl-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one
CID 10138084
2-Anilino-7-ethoxy-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one
CID 10202625
2-(4-Fluoroanilino)-1-(4-fluorophenyl)-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one
CID 10299182
2-anilino-7-[2-(2-oxo-1-pyrrolidinyl)ethoxy]-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4(1H)-one
CID 11620416
2-(3-Fluoroanilino)-1-(3-fluorophenyl)-7-(2-methoxyethoxy)-5-(trifluoromethyl)-1,8-naphthyridin-4-one
CID 20790381
2-(3-Fluoroanilino)-1-(3-fluorophenyl)-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one
CID 20790383
2-(4-Fluoroanilino)-1-(4-fluorophenyl)-7-(2-methoxyethoxy)-5-(trifluoromethyl)-1,8-naphthyridin-4-one
CID 20790387
2-(4-Fluoroanilino)-1-(4-fluorophenyl)-7-[(2-methylpropan-2-yl)oxy]-5-(trifluoromethyl)-1,8-naphthyridin-4-one
CID 20790392
2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]oxy]-N,N-dimethylacetamide
CID 20790463
2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]oxy]-N-phenylacetamide
CID 20790464
2-Anilino-1-phenyl-7-(pyridin-2-ylmethoxy)-5-(trifluoromethyl)-1,8-naphthyridin-4-one
CID 20790475
2-Anilino-1-phenyl-7-pyridin-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one
CID 20790477

Frequently Asked Questions

What is the IUPAC name of 7-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-fluoro-2-(3-fluoroanilino)-1-(3-fluorophenyl)-1,8-naphthyridin-4-one;2-(3-fluoroanilino)-1-(3-fluorophenyl)-7-morpholin-4-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-(4-fluoroanilino)-1-(4-fluorophenyl)-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
The IUPAC name of 7-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-fluoro-2-(3-fluoroanilino)-1-(3-fluorophenyl)-1,8-naphthyridin-4-one;2-(3-fluoroanilino)-1-(3-fluorophenyl)-7-morpholin-4-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-(4-fluoroanilino)-1-(4-fluorophenyl)-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one (CID 161203863) is 7-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-fluoro-2-(3-fluoroanilino)-1-(3-fluorophenyl)-1,8-naphthyridin-4-one;2-(3-fluoroanilino)-1-(3-fluorophenyl)-7-morpholin-4-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-(4-fluoroanilino)-1-(4-fluorophenyl)-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one.
What is the SMILES notation for 7-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-fluoro-2-(3-fluoroanilino)-1-(3-fluorophenyl)-1,8-naphthyridin-4-one;2-(3-fluoroanilino)-1-(3-fluorophenyl)-7-morpholin-4-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-(4-fluoroanilino)-1-(4-fluorophenyl)-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
The canonical SMILES for 7-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-fluoro-2-(3-fluoroanilino)-1-(3-fluorophenyl)-1,8-naphthyridin-4-one;2-(3-fluoroanilino)-1-(3-fluorophenyl)-7-morpholin-4-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-(4-fluoroanilino)-1-(4-fluorophenyl)-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one is CC(C)Oc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccc(F)cc3)n(-c3ccc(F)cc3)c2n1.C[C@@H]1CN(c2nc3c(cc2F)c(=O)cc(Nc2cccc(F)c2)n3-c2cccc(F)c2)C[C@H](C)O1.O=c1cc(Nc2cccc(F)c2)n(-c2cccc(F)c2)c2nc(N3CCOCC3)cc(C(F)(F)F)c12.
What is the InChIKey of 7-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-fluoro-2-(3-fluoroanilino)-1-(3-fluorophenyl)-1,8-naphthyridin-4-one;2-(3-fluoroanilino)-1-(3-fluorophenyl)-7-morpholin-4-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-(4-fluoroanilino)-1-(4-fluorophenyl)-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
The InChIKey is UVINBLWAPPDVOZ-TYIJTUDGSA-N. The full InChI is InChI=1S/C26H23F3N4O2.C25H19F5N4O2.C24H18F5N3O2/c1-15-13-32(14-16(2)35-15)26-22(29)11-21-23(34)12-24(30-19-7-3-5-17(27)9-19)33(25(21)31-26)20-8-4-6-18(28)10-20;26-15-3-1-5-17(11-15)31-22-14-20(35)23-19(25(28,29)30)13-21(33-7-9-36-10-8-33)32-24(23)34(22)18-6-2-4-16(27)12-18;1-13(2)34-21-11-18(24(27,28)29)22-19(33)12-20(30-16-7-3-14(25)4-8-16)32(23(22)31-21)17-9-5-15(26)6-10-17/h3-12,15-16,30H,13-14H2,1-2H3;1-6,11-14,31H,7-10H2;3-13,30H,1-2H3/t15-,16+;;.
What are the key properties of 7-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-fluoro-2-(3-fluoroanilino)-1-(3-fluorophenyl)-1,8-naphthyridin-4-one;2-(3-fluoroanilino)-1-(3-fluorophenyl)-7-morpholin-4-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-(4-fluoroanilino)-1-(4-fluorophenyl)-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
7-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-fluoro-2-(3-fluoroanilino)-1-(3-fluorophenyl)-1,8-naphthyridin-4-one;2-(3-fluoroanilino)-1-(3-fluorophenyl)-7-morpholin-4-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-(4-fluoroanilino)-1-(4-fluorophenyl)-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one has a molecular weight of 1458.35 g/mol, XLogP of 16.64, 13 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-fluoro-2-(3-fluoroanilino)-1-(3-fluorophenyl)-1,8-naphthyridin-4-one;2-(3-fluoroanilino)-1-(3-fluorophenyl)-7-morpholin-4-yl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-(4-fluoroanilino)-1-(4-fluorophenyl)-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one is sourced from PubChem (CID 161203863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).