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

C105H84F3N29O9S4 — CID 158027286

IUPAC5-[8-fluoro-3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-methyl-1,3-thiazole;N-[[8-fluoro-6-(2-methyl-1,3-thiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;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;7-methoxy-4-[[6-(6-methoxy-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]quinoline;2-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-5-methyl-1,3-thiazole
SMILESCOc1ccc2c(OCc3nnc4c(F)cc(-c5cnc(C)s5)cn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5cccc(OC)n5)cn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5ncc(C)s5)cn34)ccnc2c1.COc1cnc2c(NCc3nnc4c(F)cc(-c5cc(C)ns5)cn34)ccnc2c1.COc1cnc2c(NCc3nnc4c(F)cc(-c5cnc(C)s5)cn34)ccnc2c1
InChIInChI=1S/C23H19N5O3.C21H16FN5O2S.C21H17N5O2S.2C20H16FN7OS/c1-29-16-7-8-17-19(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;1-13-10-23-21(29-13)14-3-6-19-24-25-20(26(19)11-14)12-28-18-7-8-22-17-9-15(27-2)4-5-16(17)18;1-11-23-8-17(30-11)12-5-14(21)20-27-26-18(28(20)10-12)9-24-15-3-4-22-16-6-13(29-2)7-25-19(15)16;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/h3-13H,14H2,1-2H3;3-10H,11H2,1-2H3;3-11H,12H2,1-2H3;3-8,10H,9H2,1-2H3,(H,22,24);3-8,10H,9H2,1-2H3,(H,22,23)
InChIKeyFGTFKQNLTKXUAO-UHFFFAOYSA-N
MW2081.28 g/mol
LogP20.40
Rot. Bonds26

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

5-[8-fluoro-3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-methyl-1,3-thiazole;N-[[8-fluoro-6-(2-methyl-1,3-thiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;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;7-methoxy-4-[[6-(6-methoxy-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]quinoline;2-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-5-methyl-1,3-thiazole (PubChem CID 158027286) has the molecular formula C105H84F3N29O9S4 and a molecular weight of 2081.28 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;N-[[8-fluoro-6-(2-methyl-1,3-thiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;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;7-methoxy-4-[[6-(6-methoxy-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]quinoline;2-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-5-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-[8-fluoro-3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-methyl-1,3-thiazole;N-[[8-fluoro-6-(2-methyl-1,3-thiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;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;7-methoxy-4-[[6-(6-methoxy-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]quinoline;2-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-5-methyl-1,3-thiazole
PubChem CID158027286
Molecular FormulaC105H84F3N29O9S4
Molecular Weight2081.28 g/mol
Exact Mass2079.58
IUPAC Name5-[8-fluoro-3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-methyl-1,3-thiazole;N-[[8-fluoro-6-(2-methyl-1,3-thiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;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;7-methoxy-4-[[6-(6-methoxy-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]quinoline;2-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-5-methyl-1,3-thiazole
SMILESCOc1ccc2c(OCc3nnc4c(F)cc(-c5cnc(C)s5)cn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5cccc(OC)n5)cn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5ncc(C)s5)cn34)ccnc2c1.COc1cnc2c(NCc3nnc4c(F)cc(-c5cc(C)ns5)cn34)ccnc2c1.COc1cnc2c(NCc3nnc4c(F)cc(-c5cnc(C)s5)cn34)ccnc2c1
InChIInChI=1S/C23H19N5O3.C21H16FN5O2S.C21H17N5O2S.2C20H16FN7OS/c1-29-16-7-8-17-19(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;1-13-10-23-21(29-13)14-3-6-19-24-25-20(26(19)11-14)12-28-18-7-8-22-17-9-15(27-2)4-5-16(17)18;1-11-23-8-17(30-11)12-5-14(21)20-27-26-18(28(20)10-12)9-24-15-3-4-22-16-6-13(29-2)7-25-19(15)16;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/h3-13H,14H2,1-2H3;3-10H,11H2,1-2H3;3-11H,12H2,1-2H3;3-8,10H,9H2,1-2H3,(H,22,24);3-8,10H,9H2,1-2H3,(H,22,23)
InChIKeyFGTFKQNLTKXUAO-UHFFFAOYSA-N
XLogP20.40
TPSA412.76 Ų
H-Bond Donors2
H-Bond Acceptors42
Rotatable Bonds26
Heavy Atoms150
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002081.28
LogP ≤ 520.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1042

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

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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;N-[[8-fluoro-6-(2-methyl-1,3-thiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;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;7-methoxy-4-[[6-(6-methoxy-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]quinoline;2-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-5-methyl-1,3-thiazole?
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;N-[[8-fluoro-6-(2-methyl-1,3-thiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;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;7-methoxy-4-[[6-(6-methoxy-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]quinoline;2-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-5-methyl-1,3-thiazole (CID 158027286) 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;N-[[8-fluoro-6-(2-methyl-1,3-thiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;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;7-methoxy-4-[[6-(6-methoxy-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]quinoline;2-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-5-methyl-1,3-thiazole.
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;N-[[8-fluoro-6-(2-methyl-1,3-thiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;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;7-methoxy-4-[[6-(6-methoxy-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]quinoline;2-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-5-methyl-1,3-thiazole?
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;N-[[8-fluoro-6-(2-methyl-1,3-thiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;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;7-methoxy-4-[[6-(6-methoxy-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]quinoline;2-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-5-methyl-1,3-thiazole is COc1ccc2c(OCc3nnc4c(F)cc(-c5cnc(C)s5)cn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5cccc(OC)n5)cn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5ncc(C)s5)cn34)ccnc2c1.COc1cnc2c(NCc3nnc4c(F)cc(-c5cc(C)ns5)cn34)ccnc2c1.COc1cnc2c(NCc3nnc4c(F)cc(-c5cnc(C)s5)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;N-[[8-fluoro-6-(2-methyl-1,3-thiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;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;7-methoxy-4-[[6-(6-methoxy-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]quinoline;2-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-5-methyl-1,3-thiazole?
The InChIKey is FGTFKQNLTKXUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O3.C21H16FN5O2S.C21H17N5O2S.2C20H16FN7OS/c1-29-16-7-8-17-19(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;1-13-10-23-21(29-13)14-3-6-19-24-25-20(26(19)11-14)12-28-18-7-8-22-17-9-15(27-2)4-5-16(17)18;1-11-23-8-17(30-11)12-5-14(21)20-27-26-18(28(20)10-12)9-24-15-3-4-22-16-6-13(29-2)7-25-19(15)16;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/h3-13H,14H2,1-2H3;3-10H,11H2,1-2H3;3-11H,12H2,1-2H3;3-8,10H,9H2,1-2H3,(H,22,24);3-8,10H,9H2,1-2H3,(H,22,23).
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;N-[[8-fluoro-6-(2-methyl-1,3-thiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;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;7-methoxy-4-[[6-(6-methoxy-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]quinoline;2-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-5-methyl-1,3-thiazole?
5-[8-fluoro-3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-methyl-1,3-thiazole;N-[[8-fluoro-6-(2-methyl-1,3-thiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;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;7-methoxy-4-[[6-(6-methoxy-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]quinoline;2-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-5-methyl-1,3-thiazole has a molecular weight of 2081.28 g/mol, XLogP of 20.40, 26 rotatable bonds, 2 hydrogen bond donors, and 42 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;N-[[8-fluoro-6-(2-methyl-1,3-thiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;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;7-methoxy-4-[[6-(6-methoxy-2-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]quinoline;2-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-5-methyl-1,3-thiazole is sourced from PubChem (CID 158027286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).