2-fluoro-4-[8-fluoro-3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-methylbenzamide;N-[[8-fluoro-6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;4-[[8-fluoro-6-(4-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-methylthiophene-2-carboxamide;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-thiazole-2-carboxamide

C113H87F5N26O12S3 — CID 158977376

About 2-fluoro-4-[8-fluoro-3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-methylbenzamide;N-[[8-fluoro-6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;4-[[8-fluoro-6-(4-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-methylthiophene-2-carboxamide;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-thiazole-2-carboxamide

2-fluoro-4-[8-fluoro-3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-methylbenzamide;N-[[8-fluoro-6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;4-[[8-fluoro-6-(4-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-methylthiophene-2-carboxamide;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-thiazole-2-carboxamide (PubChem CID 158977376) has the molecular formula C113H87F5N26O12S3 and a molecular weight of 2192.30 g/mol. Its IUPAC name is 2-fluoro-4-[8-fluoro-3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-methylbenzamide;N-[[8-fluoro-6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;4-[[8-fluoro-6-(4-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-methylthiophene-2-carboxamide;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-thiazole-2-carboxamide.

Molecular Properties

• Compound Name: 2-fluoro-4-[8-fluoro-3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-methylbenzamide;N-[[8-fluoro-6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;4-[[8-fluoro-6-(4-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-methylthiophene-2-carboxamide;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-thiazole-2-carboxamide
• PubChem CID: 158977376
• Molecular Formula: C113H87F5N26O12S3
• Molecular Weight: 2192.30 g/mol
• Exact Mass: 2190.61
• IUPAC Name: 2-fluoro-4-[8-fluoro-3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-methylbenzamide;N-[[8-fluoro-6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;4-[[8-fluoro-6-(4-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-methylthiophene-2-carboxamide;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-thiazole-2-carboxamide
• SMILES: CNC(=O)c1ccc(-c2cc(F)c3nnc(COc4ccnc5cc(OC)ccc45)n3c2)cc1F.CNC(=O)c1ccc(-c2ccc3nnc(COc4ccnc5cc(OC)ccc45)n3c2)s1.COc1ccc2c(OCc3nnc4c(F)cc(-c5cc(C)cs5)cn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5cnc(C(N)=O)s5)cn34)ccnc2c1.COc1cnc2c(NCc3nnc4c(F)cc(-c5cccc(F)c5)cn34)ccnc2c1
• InChI: InChI=1S/C25H19F2N5O3.C23H19N5O3S.C22H16F2N6O.C22H17FN4O2S.C21H16N6O3S/c1-28-25(33)17-5-3-14(9-19(17)26)15-10-20(27)24-31-30-23(32(24)12-15)13-35-22-7-8-29-21-11-16(34-2)4-6-18(21)22;1-24-23(29)20-7-6-19(32-20)14-3-8-21-26-27-22(28(21)12-14)13-31-18-9-10-25-17-11-15(30-2)4-5-16(17)18;1-31-16-9-19-21(27-10-16)18(5-6-25-19)26-11-20-28-29-22-17(24)8-14(12-30(20)22)13-3-2-4-15(23)7-13;1-13-7-20(30-12-13)14-8-17(23)22-26-25-21(27(22)10-14)11-29-19-5-6-24-18-9-15(28-2)3-4-16(18)19;1-29-13-3-4-14-15(8-13)23-7-6-16(14)30-11-19-26-25-18-5-2-12(10-27(18)19)17-9-24-21(31-17)20(22)28/h3-12H,13H2,1-2H3,(H,28,33);3-12H,13H2,1-2H3,(H,24,29);2-10,12H,11H2,1H3,(H,25,26);3-10,12H,11H2,1-2H3;2-10H,11H2,1H3,(H2,22,28)
• InChIKey: JOOGZABAIYKMMK-UHFFFAOYSA-N
• XLogP: 20.49
• TPSA: 437.57 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 38
• Rotatable Bonds: 28
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2192.30
LogP ≤ 5	20.49
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[8-fluoro-3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-methylbenzamide;N-[[8-fluoro-6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;4-[[8-fluoro-6-(4-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-methylthiophene-2-carboxamide;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-thiazole-2-carboxamide?

The IUPAC name of 2-fluoro-4-[8-fluoro-3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-methylbenzamide;N-[[8-fluoro-6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;4-[[8-fluoro-6-(4-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-methylthiophene-2-carboxamide;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-thiazole-2-carboxamide (CID 158977376) is 2-fluoro-4-[8-fluoro-3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-methylbenzamide;N-[[8-fluoro-6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;4-[[8-fluoro-6-(4-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-methylthiophene-2-carboxamide;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-thiazole-2-carboxamide.

What is the SMILES notation for 2-fluoro-4-[8-fluoro-3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-methylbenzamide;N-[[8-fluoro-6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;4-[[8-fluoro-6-(4-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-methylthiophene-2-carboxamide;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-thiazole-2-carboxamide?

The canonical SMILES for 2-fluoro-4-[8-fluoro-3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-methylbenzamide;N-[[8-fluoro-6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;4-[[8-fluoro-6-(4-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-methylthiophene-2-carboxamide;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-thiazole-2-carboxamide is CNC(=O)c1ccc(-c2cc(F)c3nnc(COc4ccnc5cc(OC)ccc45)n3c2)cc1F.CNC(=O)c1ccc(-c2ccc3nnc(COc4ccnc5cc(OC)ccc45)n3c2)s1.COc1ccc2c(OCc3nnc4c(F)cc(-c5cc(C)cs5)cn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5cnc(C(N)=O)s5)cn34)ccnc2c1.COc1cnc2c(NCc3nnc4c(F)cc(-c5cccc(F)c5)cn34)ccnc2c1.

What is the InChIKey of 2-fluoro-4-[8-fluoro-3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-methylbenzamide;N-[[8-fluoro-6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;4-[[8-fluoro-6-(4-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-methylthiophene-2-carboxamide;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-thiazole-2-carboxamide?

The InChIKey is JOOGZABAIYKMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F2N5O3.C23H19N5O3S.C22H16F2N6O.C22H17FN4O2S.C21H16N6O3S/c1-28-25(33)17-5-3-14(9-19(17)26)15-10-20(27)24-31-30-23(32(24)12-15)13-35-22-7-8-29-21-11-16(34-2)4-6-18(21)22;1-24-23(29)20-7-6-19(32-20)14-3-8-21-26-27-22(28(21)12-14)13-31-18-9-10-25-17-11-15(30-2)4-5-16(17)18;1-31-16-9-19-21(27-10-16)18(5-6-25-19)26-11-20-28-29-22-17(24)8-14(12-30(20)22)13-3-2-4-15(23)7-13;1-13-7-20(30-12-13)14-8-17(23)22-26-25-21(27(22)10-14)11-29-19-5-6-24-18-9-15(28-2)3-4-16(18)19;1-29-13-3-4-14-15(8-13)23-7-6-16(14)30-11-19-26-25-18-5-2-12(10-27(18)19)17-9-24-21(31-17)20(22)28/h3-12H,13H2,1-2H3,(H,28,33);3-12H,13H2,1-2H3,(H,24,29);2-10,12H,11H2,1H3,(H,25,26);3-10,12H,11H2,1-2H3;2-10H,11H2,1H3,(H2,22,28).

What are the key properties of 2-fluoro-4-[8-fluoro-3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-methylbenzamide;N-[[8-fluoro-6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;4-[[8-fluoro-6-(4-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-methylthiophene-2-carboxamide;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-thiazole-2-carboxamide?

2-fluoro-4-[8-fluoro-3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-methylbenzamide;N-[[8-fluoro-6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;4-[[8-fluoro-6-(4-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-methylthiophene-2-carboxamide;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-thiazole-2-carboxamide has a molecular weight of 2192.30 g/mol, XLogP of 20.49, 28 rotatable bonds, 4 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 2-fluoro-4-[8-fluoro-3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-methylbenzamide;N-[[8-fluoro-6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;4-[[8-fluoro-6-(4-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-methylthiophene-2-carboxamide;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 158977376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).