N-[[6-(3-chloro-5-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;N-[[6-(3,4-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;4-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N-dimethylpyridin-2-amine;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-methyl-3H-isoindol-1-one

C114H90Cl3FN32O11 — CID 157161278

About N-[[6-(3-chloro-5-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;N-[[6-(3,4-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;4-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N-dimethylpyridin-2-amine;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-methyl-3H-isoindol-1-one

N-[[6-(3-chloro-5-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;N-[[6-(3,4-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;4-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N-dimethylpyridin-2-amine;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-methyl-3H-isoindol-1-one (PubChem CID 157161278) has the molecular formula C114H90Cl3FN32O11 and a molecular weight of 2209.54 g/mol. Its IUPAC name is N-[[6-(3-chloro-5-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;N-[[6-(3,4-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;4-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N-dimethylpyridin-2-amine;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-methyl-3H-isoindol-1-one.

Molecular Properties

• Compound Name: N-[[6-(3-chloro-5-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;N-[[6-(3,4-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;4-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N-dimethylpyridin-2-amine;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-methyl-3H-isoindol-1-one
• PubChem CID: 157161278
• Molecular Formula: C114H90Cl3FN32O11
• Molecular Weight: 2209.54 g/mol
• Exact Mass: 2206.65
• IUPAC Name: N-[[6-(3-chloro-5-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;N-[[6-(3,4-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;4-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N-dimethylpyridin-2-amine;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-methyl-3H-isoindol-1-one
• SMILES: COc1ccc2c(OCc3nnc4ccc(-c5ccc(N(C)C)nc5)nn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5ccc6c(c5)CN(C)C6=O)nn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5ccc6c(c5)OCCO6)nn34)ccnc2c1.COc1cnc2c(NCc3nnc4ccc(-c5cc(F)cc(Cl)c5)nn34)ccnc2c1.COc1cnc2c(NCc3nnc4ccc(-c5ccc(Cl)c(Cl)c5)nn34)ccnc2c1
• InChI: InChI=1S/C25H20N6O3.C24H19N5O4.C23H21N7O2.C21H15Cl2N7O.C21H15ClFN7O/c1-30-13-16-11-15(3-5-18(16)25(30)32)20-7-8-23-27-28-24(31(23)29-20)14-34-22-9-10-26-21-12-17(33-2)4-6-19(21)22;1-30-16-3-4-17-19(13-16)25-9-8-20(17)33-14-24-27-26-23-7-5-18(28-29(23)24)15-2-6-21-22(12-15)32-11-10-31-21;1-29(2)21-8-4-15(13-25-21)18-7-9-22-26-27-23(30(22)28-18)14-32-20-10-11-24-19-12-16(31-3)5-6-17(19)20;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)12-2-3-14(22)15(23)8-12;1-31-15-9-18-21(26-10-15)17(4-5-24-18)25-11-20-28-27-19-3-2-16(29-30(19)20)12-6-13(22)8-14(23)7-12/h3-12H,13-14H2,1-2H3;2-9,12-13H,10-11,14H2,1H3;4-13H,14H2,1-3H3;2*2-10H,11H2,1H3,(H,24,25)
• InChIKey: AMKCUEUYEBQWMV-UHFFFAOYSA-N
• XLogP: 19.41
• TPSA: 458.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 42
• Rotatable Bonds: 26
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2209.54
LogP ≤ 5	19.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	42

Frequently Asked Questions

What is the IUPAC name of N-[[6-(3-chloro-5-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;N-[[6-(3,4-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;4-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N-dimethylpyridin-2-amine;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-methyl-3H-isoindol-1-one?

The IUPAC name of N-[[6-(3-chloro-5-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;N-[[6-(3,4-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;4-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N-dimethylpyridin-2-amine;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-methyl-3H-isoindol-1-one (CID 157161278) is N-[[6-(3-chloro-5-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;N-[[6-(3,4-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;4-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N-dimethylpyridin-2-amine;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-methyl-3H-isoindol-1-one.

What is the SMILES notation for N-[[6-(3-chloro-5-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;N-[[6-(3,4-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;4-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N-dimethylpyridin-2-amine;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-methyl-3H-isoindol-1-one?

The canonical SMILES for N-[[6-(3-chloro-5-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;N-[[6-(3,4-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;4-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N-dimethylpyridin-2-amine;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-methyl-3H-isoindol-1-one is COc1ccc2c(OCc3nnc4ccc(-c5ccc(N(C)C)nc5)nn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5ccc6c(c5)CN(C)C6=O)nn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5ccc6c(c5)OCCO6)nn34)ccnc2c1.COc1cnc2c(NCc3nnc4ccc(-c5cc(F)cc(Cl)c5)nn34)ccnc2c1.COc1cnc2c(NCc3nnc4ccc(-c5ccc(Cl)c(Cl)c5)nn34)ccnc2c1.

What is the InChIKey of N-[[6-(3-chloro-5-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;N-[[6-(3,4-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;4-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N-dimethylpyridin-2-amine;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-methyl-3H-isoindol-1-one?

The InChIKey is AMKCUEUYEBQWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N6O3.C24H19N5O4.C23H21N7O2.C21H15Cl2N7O.C21H15ClFN7O/c1-30-13-16-11-15(3-5-18(16)25(30)32)20-7-8-23-27-28-24(31(23)29-20)14-34-22-9-10-26-21-12-17(33-2)4-6-19(21)22;1-30-16-3-4-17-19(13-16)25-9-8-20(17)33-14-24-27-26-23-7-5-18(28-29(23)24)15-2-6-21-22(12-15)32-11-10-31-21;1-29(2)21-8-4-15(13-25-21)18-7-9-22-26-27-23(30(22)28-18)14-32-20-10-11-24-19-12-16(31-3)5-6-17(19)20;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)12-2-3-14(22)15(23)8-12;1-31-15-9-18-21(26-10-15)17(4-5-24-18)25-11-20-28-27-19-3-2-16(29-30(19)20)12-6-13(22)8-14(23)7-12/h3-12H,13-14H2,1-2H3;2-9,12-13H,10-11,14H2,1H3;4-13H,14H2,1-3H3;2*2-10H,11H2,1H3,(H,24,25).

What are the key properties of N-[[6-(3-chloro-5-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;N-[[6-(3,4-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;4-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N-dimethylpyridin-2-amine;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-methyl-3H-isoindol-1-one?

N-[[6-(3-chloro-5-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;N-[[6-(3,4-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;4-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N-dimethylpyridin-2-amine;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-methyl-3H-isoindol-1-one has a molecular weight of 2209.54 g/mol, XLogP of 19.41, 26 rotatable bonds, 2 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[6-(3-chloro-5-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;N-[[6-(3,4-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;4-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N-dimethylpyridin-2-amine;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-methyl-3H-isoindol-1-one is sourced from PubChem (CID 157161278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).