N-[[6-[3-(3-chloro-5-fluorophenyl)-5-fluorophenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;N-[(6-ethynyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-7-methoxy-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1-methylpyridin-2-one;7-methoxy-N-[[6-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine

C107H82ClF5N36O7 — CID 159715386

About N-[[6-[3-(3-chloro-5-fluorophenyl)-5-fluorophenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;N-[(6-ethynyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-7-methoxy-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1-methylpyridin-2-one;7-methoxy-N-[[6-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine

N-[[6-[3-(3-chloro-5-fluorophenyl)-5-fluorophenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;N-[(6-ethynyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-7-methoxy-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1-methylpyridin-2-one;7-methoxy-N-[[6-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine (PubChem CID 159715386) has the molecular formula C107H82ClF5N36O7 and a molecular weight of 2114.52 g/mol. Its IUPAC name is N-[[6-[3-(3-chloro-5-fluorophenyl)-5-fluorophenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;N-[(6-ethynyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-7-methoxy-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1-methylpyridin-2-one;7-methoxy-N-[[6-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine.

Molecular Properties

• Compound Name: N-[[6-[3-(3-chloro-5-fluorophenyl)-5-fluorophenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;N-[(6-ethynyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-7-methoxy-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1-methylpyridin-2-one;7-methoxy-N-[[6-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine
• PubChem CID: 159715386
• Molecular Formula: C107H82ClF5N36O7
• Molecular Weight: 2114.52 g/mol
• Exact Mass: 2112.68
• IUPAC Name: N-[[6-[3-(3-chloro-5-fluorophenyl)-5-fluorophenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;N-[(6-ethynyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-7-methoxy-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1-methylpyridin-2-one;7-methoxy-N-[[6-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine
• SMILES: C#Cc1ccc2nnc(CNc3ccnc4cc(OC)cnc34)n2n1.COc1ccc2c(OCc3nnc4ccc(-c5ccc(=O)n(C)c5)nn34)ccnc2c1.COc1cnc2c(NCc3nnc4ccc(-c5cc(F)cc(-c6cc(F)cc(Cl)c6)c5)nn34)ccnc2c1.COc1cnc2c(NCc3nnc4ccc(-c5cccc(C(F)(F)F)c5)nn34)ccnc2c1.COc1cnc2c(NCc3nnc4ccc(-c5cnn(C)c5)nn34)ccnc2c1
• InChI: InChI=1S/C27H18ClF2N7O.C22H16F3N7O.C22H18N6O3.C19H17N9O.C17H13N7O/c1-38-21-12-24-27(33-13-21)23(4-5-31-24)32-14-26-35-34-25-3-2-22(36-37(25)26)17-6-15(8-19(29)10-17)16-7-18(28)11-20(30)9-16;1-33-15-10-18-21(28-11-15)17(7-8-26-18)27-12-20-30-29-19-6-5-16(31-32(19)20)13-3-2-4-14(9-13)22(23,24)25;1-27-12-14(3-8-22(27)29)17-6-7-20-24-25-21(28(20)26-17)13-31-19-9-10-23-18-11-15(30-2)4-5-16(18)19;1-27-11-12(8-23-27)14-3-4-17-24-25-18(28(17)26-14)10-21-15-5-6-20-16-7-13(29-2)9-22-19(15)16;1-3-11-4-5-15-21-22-16(24(15)23-11)10-19-13-6-7-18-14-8-12(25-2)9-20-17(13)14/h2-13H,14H2,1H3,(H,31,32);2-11H,12H2,1H3,(H,26,27);3-12H,13H2,1-2H3;3-9,11H,10H2,1-2H3,(H,20,21);1,4-9H,10H2,2H3,(H,18,19)
• InChIKey: MZJATEWGGIUQCQ-UHFFFAOYSA-N
• XLogP: 16.71
• TPSA: 474.73 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 43
• Rotatable Bonds: 25
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2114.52
LogP ≤ 5	16.71
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[6-[3-(3-chloro-5-fluorophenyl)-5-fluorophenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;N-[(6-ethynyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-7-methoxy-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1-methylpyridin-2-one;7-methoxy-N-[[6-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine?

The IUPAC name of N-[[6-[3-(3-chloro-5-fluorophenyl)-5-fluorophenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;N-[(6-ethynyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-7-methoxy-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1-methylpyridin-2-one;7-methoxy-N-[[6-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine (CID 159715386) is N-[[6-[3-(3-chloro-5-fluorophenyl)-5-fluorophenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;N-[(6-ethynyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-7-methoxy-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1-methylpyridin-2-one;7-methoxy-N-[[6-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine.

What is the SMILES notation for N-[[6-[3-(3-chloro-5-fluorophenyl)-5-fluorophenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;N-[(6-ethynyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-7-methoxy-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1-methylpyridin-2-one;7-methoxy-N-[[6-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine?

The canonical SMILES for N-[[6-[3-(3-chloro-5-fluorophenyl)-5-fluorophenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;N-[(6-ethynyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-7-methoxy-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1-methylpyridin-2-one;7-methoxy-N-[[6-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine is C#Cc1ccc2nnc(CNc3ccnc4cc(OC)cnc34)n2n1.COc1ccc2c(OCc3nnc4ccc(-c5ccc(=O)n(C)c5)nn34)ccnc2c1.COc1cnc2c(NCc3nnc4ccc(-c5cc(F)cc(-c6cc(F)cc(Cl)c6)c5)nn34)ccnc2c1.COc1cnc2c(NCc3nnc4ccc(-c5cccc(C(F)(F)F)c5)nn34)ccnc2c1.COc1cnc2c(NCc3nnc4ccc(-c5cnn(C)c5)nn34)ccnc2c1.

What is the InChIKey of N-[[6-[3-(3-chloro-5-fluorophenyl)-5-fluorophenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;N-[(6-ethynyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-7-methoxy-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1-methylpyridin-2-one;7-methoxy-N-[[6-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine?

The InChIKey is MZJATEWGGIUQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18ClF2N7O.C22H16F3N7O.C22H18N6O3.C19H17N9O.C17H13N7O/c1-38-21-12-24-27(33-13-21)23(4-5-31-24)32-14-26-35-34-25-3-2-22(36-37(25)26)17-6-15(8-19(29)10-17)16-7-18(28)11-20(30)9-16;1-33-15-10-18-21(28-11-15)17(7-8-26-18)27-12-20-30-29-19-6-5-16(31-32(19)20)13-3-2-4-14(9-13)22(23,24)25;1-27-12-14(3-8-22(27)29)17-6-7-20-24-25-21(28(20)26-17)13-31-19-9-10-23-18-11-15(30-2)4-5-16(18)19;1-27-11-12(8-23-27)14-3-4-17-24-25-18(28(17)26-14)10-21-15-5-6-20-16-7-13(29-2)9-22-19(15)16;1-3-11-4-5-15-21-22-16(24(15)23-11)10-19-13-6-7-18-14-8-12(25-2)9-20-17(13)14/h2-13H,14H2,1H3,(H,31,32);2-11H,12H2,1H3,(H,26,27);3-12H,13H2,1-2H3;3-9,11H,10H2,1-2H3,(H,20,21);1,4-9H,10H2,2H3,(H,18,19).

What are the key properties of N-[[6-[3-(3-chloro-5-fluorophenyl)-5-fluorophenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;N-[(6-ethynyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-7-methoxy-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1-methylpyridin-2-one;7-methoxy-N-[[6-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine?

N-[[6-[3-(3-chloro-5-fluorophenyl)-5-fluorophenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;N-[(6-ethynyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-7-methoxy-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1-methylpyridin-2-one;7-methoxy-N-[[6-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine has a molecular weight of 2114.52 g/mol, XLogP of 16.71, 25 rotatable bonds, 4 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[6-[3-(3-chloro-5-fluorophenyl)-5-fluorophenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;N-[(6-ethynyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-7-methoxy-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1-methylpyridin-2-one;7-methoxy-N-[[6-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine is sourced from PubChem (CID 159715386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).