5-[8-fluoro-3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-methyl-1,3-thiazole;5-[8-fluoro-3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-thiazole;N-[[8-fluoro-6-(3-methyl-1,2-thiazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;7-methoxy-4-[[6-(6-methoxy-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]quinoline;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-dihydroindol-2-one

C111H87F3N26O11S3 — CID 158044067

About 5-[8-fluoro-3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-methyl-1,3-thiazole;5-[8-fluoro-3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-thiazole;N-[[8-fluoro-6-(3-methyl-1,2-thiazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;7-methoxy-4-[[6-(6-methoxy-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]quinoline;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-dihydroindol-2-one

5-[8-fluoro-3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-methyl-1,3-thiazole;5-[8-fluoro-3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-thiazole;N-[[8-fluoro-6-(3-methyl-1,2-thiazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;7-methoxy-4-[[6-(6-methoxy-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]quinoline;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-dihydroindol-2-one (PubChem CID 158044067) has the molecular formula C111H87F3N26O11S3 and a molecular weight of 2114.28 g/mol. Its IUPAC name is 5-[8-fluoro-3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-methyl-1,3-thiazole;5-[8-fluoro-3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-thiazole;N-[[8-fluoro-6-(3-methyl-1,2-thiazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;7-methoxy-4-[[6-(6-methoxy-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]quinoline;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-dihydroindol-2-one.

Molecular Properties

• Compound Name: 5-[8-fluoro-3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-methyl-1,3-thiazole;5-[8-fluoro-3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-thiazole;N-[[8-fluoro-6-(3-methyl-1,2-thiazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;7-methoxy-4-[[6-(6-methoxy-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]quinoline;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-dihydroindol-2-one
• PubChem CID: 158044067
• Molecular Formula: C111H87F3N26O11S3
• Molecular Weight: 2114.28 g/mol
• Exact Mass: 2112.62
• IUPAC Name: 5-[8-fluoro-3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-methyl-1,3-thiazole;5-[8-fluoro-3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-thiazole;N-[[8-fluoro-6-(3-methyl-1,2-thiazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;7-methoxy-4-[[6-(6-methoxy-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]quinoline;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-dihydroindol-2-one
• SMILES: COc1ccc2c(OCc3nnc4c(F)cc(-c5cc(C)ns5)cn34)ccnc2c1.COc1ccc2c(OCc3nnc4c(F)cc(-c5cnc(C)s5)cn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5ccc6c(c5)CC(=O)N6)cn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5cccc(OC)n5)cn34)ccnc2c1.COc1cnc2c(NCc3cnc4c(F)cc(-c5cc(C)ns5)cn34)ccnc2c1
• InChI: InChI=1S/C25H19N5O3.C23H19N5O3.C21H17FN6OS.2C21H16FN5O2S/c1-32-18-4-5-19-21(12-18)26-9-8-22(19)33-14-24-29-28-23-7-3-16(13-30(23)24)15-2-6-20-17(10-15)11-25(31)27-20;1-29-16-7-8-17-19(12-16)24-11-10-20(17)31-14-22-27-26-21-9-6-15(13-28(21)22)18-4-3-5-23(25-18)30-2;1-12-5-19(30-27-12)13-6-16(22)21-26-9-14(28(21)11-13)8-24-17-3-4-23-18-7-15(29-2)10-25-20(17)18;1-12-24-9-19(30-12)13-7-16(22)21-26-25-20(27(21)10-13)11-29-18-5-6-23-17-8-14(28-2)3-4-15(17)18;1-12-7-19(30-26-12)13-8-16(22)21-25-24-20(27(21)10-13)11-29-18-5-6-23-17-9-14(28-2)3-4-15(17)18/h2-10,12-13H,11,14H2,1H3,(H,27,31);3-13H,14H2,1-2H3;3-7,9-11H,8H2,1-2H3,(H,23,24);2*3-10H,11H2,1-2H3
• InChIKey: FIRRZPPLPBXPAK-UHFFFAOYSA-N
• XLogP: 21.30
• TPSA: 400.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 39
• Rotatable Bonds: 26
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2114.28
LogP ≤ 5	21.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

What is the IUPAC name of 5-[8-fluoro-3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-methyl-1,3-thiazole;5-[8-fluoro-3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-thiazole;N-[[8-fluoro-6-(3-methyl-1,2-thiazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;7-methoxy-4-[[6-(6-methoxy-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]quinoline;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-dihydroindol-2-one?

The IUPAC name of 5-[8-fluoro-3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-methyl-1,3-thiazole;5-[8-fluoro-3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-thiazole;N-[[8-fluoro-6-(3-methyl-1,2-thiazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;7-methoxy-4-[[6-(6-methoxy-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]quinoline;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-dihydroindol-2-one (CID 158044067) is 5-[8-fluoro-3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-methyl-1,3-thiazole;5-[8-fluoro-3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-thiazole;N-[[8-fluoro-6-(3-methyl-1,2-thiazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;7-methoxy-4-[[6-(6-methoxy-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]quinoline;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-dihydroindol-2-one.

What is the SMILES notation for 5-[8-fluoro-3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-methyl-1,3-thiazole;5-[8-fluoro-3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-thiazole;N-[[8-fluoro-6-(3-methyl-1,2-thiazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;7-methoxy-4-[[6-(6-methoxy-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]quinoline;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-dihydroindol-2-one?

The canonical SMILES for 5-[8-fluoro-3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-methyl-1,3-thiazole;5-[8-fluoro-3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-thiazole;N-[[8-fluoro-6-(3-methyl-1,2-thiazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;7-methoxy-4-[[6-(6-methoxy-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]quinoline;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-dihydroindol-2-one is COc1ccc2c(OCc3nnc4c(F)cc(-c5cc(C)ns5)cn34)ccnc2c1.COc1ccc2c(OCc3nnc4c(F)cc(-c5cnc(C)s5)cn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5ccc6c(c5)CC(=O)N6)cn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5cccc(OC)n5)cn34)ccnc2c1.COc1cnc2c(NCc3cnc4c(F)cc(-c5cc(C)ns5)cn34)ccnc2c1.

What is the InChIKey of 5-[8-fluoro-3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-methyl-1,3-thiazole;5-[8-fluoro-3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-thiazole;N-[[8-fluoro-6-(3-methyl-1,2-thiazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;7-methoxy-4-[[6-(6-methoxy-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]quinoline;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-dihydroindol-2-one?

The InChIKey is FIRRZPPLPBXPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N5O3.C23H19N5O3.C21H17FN6OS.2C21H16FN5O2S/c1-32-18-4-5-19-21(12-18)26-9-8-22(19)33-14-24-29-28-23-7-3-16(13-30(23)24)15-2-6-20-17(10-15)11-25(31)27-20;1-29-16-7-8-17-19(12-16)24-11-10-20(17)31-14-22-27-26-21-9-6-15(13-28(21)22)18-4-3-5-23(25-18)30-2;1-12-5-19(30-27-12)13-6-16(22)21-26-9-14(28(21)11-13)8-24-17-3-4-23-18-7-15(29-2)10-25-20(17)18;1-12-24-9-19(30-12)13-7-16(22)21-26-25-20(27(21)10-13)11-29-18-5-6-23-17-8-14(28-2)3-4-15(17)18;1-12-7-19(30-26-12)13-8-16(22)21-25-24-20(27(21)10-13)11-29-18-5-6-23-17-9-14(28-2)3-4-15(17)18/h2-10,12-13H,11,14H2,1H3,(H,27,31);3-13H,14H2,1-2H3;3-7,9-11H,8H2,1-2H3,(H,23,24);2*3-10H,11H2,1-2H3.

What are the key properties of 5-[8-fluoro-3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-methyl-1,3-thiazole;5-[8-fluoro-3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-thiazole;N-[[8-fluoro-6-(3-methyl-1,2-thiazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;7-methoxy-4-[[6-(6-methoxy-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]quinoline;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-dihydroindol-2-one?

5-[8-fluoro-3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-methyl-1,3-thiazole;5-[8-fluoro-3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-thiazole;N-[[8-fluoro-6-(3-methyl-1,2-thiazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;7-methoxy-4-[[6-(6-methoxy-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]quinoline;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-dihydroindol-2-one has a molecular weight of 2114.28 g/mol, XLogP of 21.30, 26 rotatable bonds, 2 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[8-fluoro-3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-methyl-1,3-thiazole;5-[8-fluoro-3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-thiazole;N-[[8-fluoro-6-(3-methyl-1,2-thiazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;7-methoxy-4-[[6-(6-methoxy-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]quinoline;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 158044067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).