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;[2-chloro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methanol;5,7-difluoro-N-[[6-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinolin-4-amine;N-[(6-ethynyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-7-methoxy-1,5-naphthyridin-4-amine;1-[2-fluoro-4-[3-[[(7-methoxy-1,5-naphthyridin-4-yl)amino]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]pyrrolidin-2-one;methane;7-methoxy-N-[[6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine

C138H121Cl2F8N41O9 — CID 160910409

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;[2-chloro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methanol;5,7-difluoro-N-[[6-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinolin-4-amine;N-[(6-ethynyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-7-methoxy-1,5-naphthyridin-4-amine;1-[2-fluoro-4-[3-[[(7-methoxy-1,5-naphthyridin-4-yl)amino]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]pyrrolidin-2-one;methane;7-methoxy-N-[[6-(3-methyl-1,2-oxazol-5-yl)-[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;[2-chloro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methanol;5,7-difluoro-N-[[6-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinolin-4-amine;N-[(6-ethynyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-7-methoxy-1,5-naphthyridin-4-amine;1-[2-fluoro-4-[3-[[(7-methoxy-1,5-naphthyridin-4-yl)amino]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]pyrrolidin-2-one;methane;7-methoxy-N-[[6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine (PubChem CID 160910409) has the molecular formula C138H121Cl2F8N41O9 and a molecular weight of 2720.65 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;[2-chloro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methanol;5,7-difluoro-N-[[6-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinolin-4-amine;N-[(6-ethynyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-7-methoxy-1,5-naphthyridin-4-amine;1-[2-fluoro-4-[3-[[(7-methoxy-1,5-naphthyridin-4-yl)amino]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]pyrrolidin-2-one;methane;7-methoxy-N-[[6-(3-methyl-1,2-oxazol-5-yl)-[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;[2-chloro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methanol;5,7-difluoro-N-[[6-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinolin-4-amine;N-[(6-ethynyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-7-methoxy-1,5-naphthyridin-4-amine;1-[2-fluoro-4-[3-[[(7-methoxy-1,5-naphthyridin-4-yl)amino]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]pyrrolidin-2-one;methane;7-methoxy-N-[[6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine
• PubChem CID: 160910409
• Molecular Formula: C138H121Cl2F8N41O9
• Molecular Weight: 2720.65 g/mol
• Exact Mass: 2717.95
• 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;[2-chloro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methanol;5,7-difluoro-N-[[6-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinolin-4-amine;N-[(6-ethynyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-7-methoxy-1,5-naphthyridin-4-amine;1-[2-fluoro-4-[3-[[(7-methoxy-1,5-naphthyridin-4-yl)amino]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]pyrrolidin-2-one;methane;7-methoxy-N-[[6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine
• SMILES: C.C.C.C.C.C.C#Cc1ccc2nnc(CNc3ccnc4cc(OC)cnc34)n2n1.COc1ccc2c(OCc3nnc4ccc(-c5ccc(CO)c(Cl)c5)nn34)ccnc2c1.COc1cnc2c(NCc3nnc4ccc(-c5cc(C)no5)nn34)ccnc2c1.COc1cnc2c(NCc3nnc4ccc(-c5cc(F)cc(-c6cc(F)cc(Cl)c6)c5)nn34)ccnc2c1.COc1cnc2c(NCc3nnc4ccc(-c5ccc(N6CCCC6=O)c(F)c5)nn34)ccnc2c1.Fc1cc(F)c2c(NCc3nnc4ccc(-c5cc(F)c(F)c(F)c5)nn34)ccnc2c1
• InChI: InChI=1S/C27H18ClF2N7O.C25H21FN8O2.C23H18ClN5O3.C21H11F5N6.C19H16N8O2.C17H13N7O.6CH4/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;1-36-16-12-20-25(29-13-16)19(8-9-27-20)28-14-23-31-30-22-7-5-18(32-34(22)23)15-4-6-21(17(26)11-15)33-10-2-3-24(33)35;1-31-16-4-5-17-20(11-16)25-9-8-21(17)32-13-23-27-26-22-7-6-19(28-29(22)23)14-2-3-15(12-30)18(24)10-14;22-11-7-12(23)20-16(3-4-27-17(20)8-11)28-9-19-30-29-18-2-1-15(31-32(18)19)10-5-13(24)21(26)14(25)6-10;1-11-7-16(29-26-11)13-3-4-17-23-24-18(27(17)25-13)10-21-14-5-6-20-15-8-12(28-2)9-22-19(14)15;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);4-9,11-13H,2-3,10,14H2,1H3,(H,27,28);2-11,30H,12-13H2,1H3;1-8H,9H2,(H,27,28);3-9H,10H2,1-2H3,(H,20,21);1,4-9H,10H2,2H3,(H,18,19);6*1H4
• InChIKey: SQRVQWZIQONPHX-UHFFFAOYSA-N
• XLogP: 26.43
• TPSA: 569.48 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 49
• Rotatable Bonds: 31
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2720.65
LogP ≤ 5	26.43
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	49

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'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;[2-chloro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methanol;5,7-difluoro-N-[[6-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinolin-4-amine;N-[(6-ethynyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-7-methoxy-1,5-naphthyridin-4-amine;1-[2-fluoro-4-[3-[[(7-methoxy-1,5-naphthyridin-4-yl)amino]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]pyrrolidin-2-one;methane;7-methoxy-N-[[6-(3-methyl-1,2-oxazol-5-yl)-[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;[2-chloro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methanol;5,7-difluoro-N-[[6-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinolin-4-amine;N-[(6-ethynyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-7-methoxy-1,5-naphthyridin-4-amine;1-[2-fluoro-4-[3-[[(7-methoxy-1,5-naphthyridin-4-yl)amino]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]pyrrolidin-2-one;methane;7-methoxy-N-[[6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine (CID 160910409) 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;[2-chloro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methanol;5,7-difluoro-N-[[6-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinolin-4-amine;N-[(6-ethynyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-7-methoxy-1,5-naphthyridin-4-amine;1-[2-fluoro-4-[3-[[(7-methoxy-1,5-naphthyridin-4-yl)amino]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]pyrrolidin-2-one;methane;7-methoxy-N-[[6-(3-methyl-1,2-oxazol-5-yl)-[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;[2-chloro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methanol;5,7-difluoro-N-[[6-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinolin-4-amine;N-[(6-ethynyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-7-methoxy-1,5-naphthyridin-4-amine;1-[2-fluoro-4-[3-[[(7-methoxy-1,5-naphthyridin-4-yl)amino]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]pyrrolidin-2-one;methane;7-methoxy-N-[[6-(3-methyl-1,2-oxazol-5-yl)-[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;[2-chloro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methanol;5,7-difluoro-N-[[6-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinolin-4-amine;N-[(6-ethynyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-7-methoxy-1,5-naphthyridin-4-amine;1-[2-fluoro-4-[3-[[(7-methoxy-1,5-naphthyridin-4-yl)amino]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]pyrrolidin-2-one;methane;7-methoxy-N-[[6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine is C.C.C.C.C.C.C#Cc1ccc2nnc(CNc3ccnc4cc(OC)cnc34)n2n1.COc1ccc2c(OCc3nnc4ccc(-c5ccc(CO)c(Cl)c5)nn34)ccnc2c1.COc1cnc2c(NCc3nnc4ccc(-c5cc(C)no5)nn34)ccnc2c1.COc1cnc2c(NCc3nnc4ccc(-c5cc(F)cc(-c6cc(F)cc(Cl)c6)c5)nn34)ccnc2c1.COc1cnc2c(NCc3nnc4ccc(-c5ccc(N6CCCC6=O)c(F)c5)nn34)ccnc2c1.Fc1cc(F)c2c(NCc3nnc4ccc(-c5cc(F)c(F)c(F)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;[2-chloro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methanol;5,7-difluoro-N-[[6-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinolin-4-amine;N-[(6-ethynyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-7-methoxy-1,5-naphthyridin-4-amine;1-[2-fluoro-4-[3-[[(7-methoxy-1,5-naphthyridin-4-yl)amino]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]pyrrolidin-2-one;methane;7-methoxy-N-[[6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine?

The InChIKey is SQRVQWZIQONPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18ClF2N7O.C25H21FN8O2.C23H18ClN5O3.C21H11F5N6.C19H16N8O2.C17H13N7O.6CH4/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;1-36-16-12-20-25(29-13-16)19(8-9-27-20)28-14-23-31-30-22-7-5-18(32-34(22)23)15-4-6-21(17(26)11-15)33-10-2-3-24(33)35;1-31-16-4-5-17-20(11-16)25-9-8-21(17)32-13-23-27-26-22-7-6-19(28-29(22)23)14-2-3-15(12-30)18(24)10-14;22-11-7-12(23)20-16(3-4-27-17(20)8-11)28-9-19-30-29-18-2-1-15(31-32(18)19)10-5-13(24)21(26)14(25)6-10;1-11-7-16(29-26-11)13-3-4-17-23-24-18(27(17)25-13)10-21-14-5-6-20-15-8-12(28-2)9-22-19(14)15;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);4-9,11-13H,2-3,10,14H2,1H3,(H,27,28);2-11,30H,12-13H2,1H3;1-8H,9H2,(H,27,28);3-9H,10H2,1-2H3,(H,20,21);1,4-9H,10H2,2H3,(H,18,19);6*1H4.

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;[2-chloro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methanol;5,7-difluoro-N-[[6-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinolin-4-amine;N-[(6-ethynyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-7-methoxy-1,5-naphthyridin-4-amine;1-[2-fluoro-4-[3-[[(7-methoxy-1,5-naphthyridin-4-yl)amino]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]pyrrolidin-2-one;methane;7-methoxy-N-[[6-(3-methyl-1,2-oxazol-5-yl)-[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;[2-chloro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methanol;5,7-difluoro-N-[[6-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinolin-4-amine;N-[(6-ethynyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-7-methoxy-1,5-naphthyridin-4-amine;1-[2-fluoro-4-[3-[[(7-methoxy-1,5-naphthyridin-4-yl)amino]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]pyrrolidin-2-one;methane;7-methoxy-N-[[6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine has a molecular weight of 2720.65 g/mol, XLogP of 26.43, 31 rotatable bonds, 6 hydrogen bond donors, and 49 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;[2-chloro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methanol;5,7-difluoro-N-[[6-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinolin-4-amine;N-[(6-ethynyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-7-methoxy-1,5-naphthyridin-4-amine;1-[2-fluoro-4-[3-[[(7-methoxy-1,5-naphthyridin-4-yl)amino]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]pyrrolidin-2-one;methane;7-methoxy-N-[[6-(3-methyl-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine is sourced from PubChem (CID 160910409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).