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)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;methane;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

C115H106F3N27O11S3 — CID 157325212

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)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;methane;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)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;methane;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 157325212) has the molecular formula C115H106F3N27O11S3 and a molecular weight of 2195.49 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)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;methane;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)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;methane;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: 157325212
• Molecular Formula: C115H106F3N27O11S3
• Molecular Weight: 2195.49 g/mol
• Exact Mass: 2193.77
• 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)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;methane;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: C.C.C.C.C.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(NCc3nnc4c(F)cc(-c5cc(C)ns5)cn34)ccnc2c1
• InChI: InChI=1S/C25H19N5O3.C23H19N5O3.2C21H16FN5O2S.C20H16FN7OS.5CH4/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;1-12-24-9-19(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;1-11-5-17(30-27-11)12-6-14(21)20-26-25-18(28(20)10-12)9-23-15-3-4-22-16-7-13(29-2)8-24-19(15)16;;;;;/h2-10,12-13H,11,14H2,1H3,(H,27,31);3-13H,14H2,1-2H3;2*3-10H,11H2,1-2H3;3-8,10H,9H2,1-2H3,(H,22,23);5*1H4
• InChIKey: BEQDHLABHFOJTC-UHFFFAOYSA-N
• XLogP: 23.88
• TPSA: 413.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 40
• Rotatable Bonds: 26
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2195.49
LogP ≤ 5	23.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	40

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)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;methane;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)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;methane;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 157325212) 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)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;methane;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)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;methane;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)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;methane;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 C.C.C.C.C.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(NCc3nnc4c(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)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;methane;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 BEQDHLABHFOJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N5O3.C23H19N5O3.2C21H16FN5O2S.C20H16FN7OS.5CH4/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;1-12-24-9-19(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;1-11-5-17(30-27-11)12-6-14(21)20-26-25-18(28(20)10-12)9-23-15-3-4-22-16-7-13(29-2)8-24-19(15)16;;;;;/h2-10,12-13H,11,14H2,1H3,(H,27,31);3-13H,14H2,1-2H3;2*3-10H,11H2,1-2H3;3-8,10H,9H2,1-2H3,(H,22,23);5*1H4.

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)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;methane;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)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;methane;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 2195.49 g/mol, XLogP of 23.88, 26 rotatable bonds, 2 hydrogen bond donors, and 40 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)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;methane;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 157325212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).