N-[[6-(3-chloro-4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;2-chloro-4-[3-[[(7-methoxy-1,5-naphthyridin-4-yl)amino]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;N-[[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-methyl-1,3-thiazole

C84H64Cl2F2N28O6S — CID 159033866

About N-[[6-(3-chloro-4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;2-chloro-4-[3-[[(7-methoxy-1,5-naphthyridin-4-yl)amino]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;N-[[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-methyl-1,3-thiazole

N-[[6-(3-chloro-4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;2-chloro-4-[3-[[(7-methoxy-1,5-naphthyridin-4-yl)amino]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;N-[[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-methyl-1,3-thiazole (PubChem CID 159033866) has the molecular formula C84H64Cl2F2N28O6S and a molecular weight of 1702.59 g/mol. Its IUPAC name is N-[[6-(3-chloro-4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;2-chloro-4-[3-[[(7-methoxy-1,5-naphthyridin-4-yl)amino]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;N-[[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-methyl-1,3-thiazole.

Molecular Properties

• Compound Name: N-[[6-(3-chloro-4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;2-chloro-4-[3-[[(7-methoxy-1,5-naphthyridin-4-yl)amino]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;N-[[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-methyl-1,3-thiazole
• PubChem CID: 159033866
• Molecular Formula: C84H64Cl2F2N28O6S
• Molecular Weight: 1702.59 g/mol
• Exact Mass: 1700.46
• IUPAC Name: N-[[6-(3-chloro-4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;2-chloro-4-[3-[[(7-methoxy-1,5-naphthyridin-4-yl)amino]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;N-[[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-methyl-1,3-thiazole
• SMILES: COc1ccc2c(OCc3nnc4ccc(-c5cnc(C)s5)nn34)ccnc2c1.COc1cnc2c(NCc3nnc4ccc(-c5ccc(C(N)=O)c(Cl)c5)nn34)ccnc2c1.COc1cnc2c(NCc3nnc4ccc(-c5ccc(F)c(Cl)c5)nn34)ccnc2c1.COc1cnc2c(NCc3nnc4ccc(-c5cccc(F)c5)nn34)ccnc2c1
• InChI: InChI=1S/C22H17ClN8O2.C21H15ClFN7O.C21H16FN7O.C20H16N6O2S/c1-33-13-9-18-21(27-10-13)17(6-7-25-18)26-11-20-29-28-19-5-4-16(30-31(19)20)12-2-3-14(22(24)32)15(23)8-12;1-31-13-9-18-21(26-10-13)17(6-7-24-18)25-11-20-28-27-19-5-4-16(29-30(19)20)12-2-3-15(23)14(22)8-12;1-30-15-10-18-21(25-11-15)17(7-8-23-18)24-12-20-27-26-19-6-5-16(28-29(19)20)13-3-2-4-14(22)9-13;1-12-22-10-18(29-12)15-5-6-19-23-24-20(26(19)25-15)11-28-17-7-8-21-16-9-13(27-2)3-4-14(16)17/h2-10H,11H2,1H3,(H2,24,32)(H,25,26);2-10H,11H2,1H3,(H,24,25);2-11H,12H2,1H3,(H,23,24);3-10H,11H2,1-2H3
• InChIKey: JVFFYZNXZXIEHV-UHFFFAOYSA-N
• XLogP: 14.44
• TPSA: 400.77 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 34
• Rotatable Bonds: 21
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1702.59
LogP ≤ 5	14.44
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of N-[[6-(3-chloro-4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;2-chloro-4-[3-[[(7-methoxy-1,5-naphthyridin-4-yl)amino]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;N-[[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-methyl-1,3-thiazole?

The IUPAC name of N-[[6-(3-chloro-4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;2-chloro-4-[3-[[(7-methoxy-1,5-naphthyridin-4-yl)amino]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;N-[[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-methyl-1,3-thiazole (CID 159033866) is N-[[6-(3-chloro-4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;2-chloro-4-[3-[[(7-methoxy-1,5-naphthyridin-4-yl)amino]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;N-[[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-methyl-1,3-thiazole.

What is the SMILES notation for N-[[6-(3-chloro-4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;2-chloro-4-[3-[[(7-methoxy-1,5-naphthyridin-4-yl)amino]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;N-[[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-methyl-1,3-thiazole?

The canonical SMILES for N-[[6-(3-chloro-4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;2-chloro-4-[3-[[(7-methoxy-1,5-naphthyridin-4-yl)amino]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;N-[[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-methyl-1,3-thiazole is COc1ccc2c(OCc3nnc4ccc(-c5cnc(C)s5)nn34)ccnc2c1.COc1cnc2c(NCc3nnc4ccc(-c5ccc(C(N)=O)c(Cl)c5)nn34)ccnc2c1.COc1cnc2c(NCc3nnc4ccc(-c5ccc(F)c(Cl)c5)nn34)ccnc2c1.COc1cnc2c(NCc3nnc4ccc(-c5cccc(F)c5)nn34)ccnc2c1.

What is the InChIKey of N-[[6-(3-chloro-4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;2-chloro-4-[3-[[(7-methoxy-1,5-naphthyridin-4-yl)amino]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;N-[[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-methyl-1,3-thiazole?

The InChIKey is JVFFYZNXZXIEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN8O2.C21H15ClFN7O.C21H16FN7O.C20H16N6O2S/c1-33-13-9-18-21(27-10-13)17(6-7-25-18)26-11-20-29-28-19-5-4-16(30-31(19)20)12-2-3-14(22(24)32)15(23)8-12;1-31-13-9-18-21(26-10-13)17(6-7-24-18)25-11-20-28-27-19-5-4-16(29-30(19)20)12-2-3-15(23)14(22)8-12;1-30-15-10-18-21(25-11-15)17(7-8-23-18)24-12-20-27-26-19-6-5-16(28-29(19)20)13-3-2-4-14(22)9-13;1-12-22-10-18(29-12)15-5-6-19-23-24-20(26(19)25-15)11-28-17-7-8-21-16-9-13(27-2)3-4-14(16)17/h2-10H,11H2,1H3,(H2,24,32)(H,25,26);2-10H,11H2,1H3,(H,24,25);2-11H,12H2,1H3,(H,23,24);3-10H,11H2,1-2H3.

What are the key properties of N-[[6-(3-chloro-4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;2-chloro-4-[3-[[(7-methoxy-1,5-naphthyridin-4-yl)amino]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;N-[[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-methyl-1,3-thiazole?

N-[[6-(3-chloro-4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;2-chloro-4-[3-[[(7-methoxy-1,5-naphthyridin-4-yl)amino]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;N-[[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-methyl-1,3-thiazole has a molecular weight of 1702.59 g/mol, XLogP of 14.44, 21 rotatable bonds, 4 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[6-(3-chloro-4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;2-chloro-4-[3-[[(7-methoxy-1,5-naphthyridin-4-yl)amino]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;N-[[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 159033866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).