2-fluoro-N-(2-methoxyethyl)-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;4-[[2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methyl]morpholine;methane;7-methoxy-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1,5-naphthyridin-4-amine;7-methoxy-4-[(1R)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propoxy]quinoline;7-methoxy-4-[(1S)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propoxy]quinoline

C127H127F2N29O12 — CID 160503879

About 2-fluoro-N-(2-methoxyethyl)-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;4-[[2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methyl]morpholine;methane;7-methoxy-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1,5-naphthyridin-4-amine;7-methoxy-4-[(1R)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propoxy]quinoline;7-methoxy-4-[(1S)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propoxy]quinoline

2-fluoro-N-(2-methoxyethyl)-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;4-[[2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methyl]morpholine;methane;7-methoxy-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1,5-naphthyridin-4-amine;7-methoxy-4-[(1R)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propoxy]quinoline;7-methoxy-4-[(1S)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propoxy]quinoline (PubChem CID 160503879) has the molecular formula C127H127F2N29O12 and a molecular weight of 2289.60 g/mol. Its IUPAC name is 2-fluoro-N-(2-methoxyethyl)-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;4-[[2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methyl]morpholine;methane;7-methoxy-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1,5-naphthyridin-4-amine;7-methoxy-4-[(1R)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propoxy]quinoline;7-methoxy-4-[(1S)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propoxy]quinoline.

Molecular Properties

• Compound Name: 2-fluoro-N-(2-methoxyethyl)-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;4-[[2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methyl]morpholine;methane;7-methoxy-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1,5-naphthyridin-4-amine;7-methoxy-4-[(1R)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propoxy]quinoline;7-methoxy-4-[(1S)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propoxy]quinoline
• PubChem CID: 160503879
• Molecular Formula: C127H127F2N29O12
• Molecular Weight: 2289.60 g/mol
• Exact Mass: 2288.02
• IUPAC Name: 2-fluoro-N-(2-methoxyethyl)-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;4-[[2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methyl]morpholine;methane;7-methoxy-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1,5-naphthyridin-4-amine;7-methoxy-4-[(1R)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propoxy]quinoline;7-methoxy-4-[(1S)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propoxy]quinoline
• SMILES: C.C.C.C.C.CC[C@@H](Oc1ccnc2cc(OC)ccc12)c1nnc2ccc(-c3ccccc3)nn12.CC[C@H](Oc1ccnc2cc(OC)ccc12)c1nnc2ccc(-c3ccccc3)nn12.COCCNC(=O)c1ccc(-c2ccc3nnc(COc4ccnc5cc(OC)ccc45)n3n2)cc1F.COc1ccc2c(OCc3nnc4ccc(-c5ccc(CN6CCOCC6)c(F)c5)nn34)ccnc2c1.COc1cnc2c(NCc3nnc4ccc(-c5ccccc5)nn34)ccnc2c1
• InChI: InChI=1S/C27H25FN6O3.C26H23FN6O4.2C24H21N5O2.C21H17N7O.5CH4/c1-35-20-4-5-21-24(15-20)29-9-8-25(21)37-17-27-31-30-26-7-6-23(32-34(26)27)18-2-3-19(22(28)14-18)16-33-10-12-36-13-11-33;1-35-12-11-29-26(34)18-5-3-16(13-20(18)27)21-7-8-24-30-31-25(33(24)32-21)15-37-23-9-10-28-22-14-17(36-2)4-6-19(22)23;2*1-3-21(31-22-13-14-25-20-15-17(30-2)9-10-18(20)22)24-27-26-23-12-11-19(28-29(23)24)16-7-5-4-6-8-16;1-29-15-11-18-21(24-12-15)17(9-10-22-18)23-13-20-26-25-19-8-7-16(27-28(19)20)14-5-3-2-4-6-14;;;;;/h2-9,14-15H,10-13,16-17H2,1H3;3-10,13-14H,11-12,15H2,1-2H3,(H,29,34);2*4-15,21H,3H2,1-2H3;2-12H,13H2,1H3,(H,22,23);5*1H4/t;;2*21-;;;;;;/m..10....../s1
• InChIKey: QSDDKPLHDKNIOU-RLBVMUCSSA-N
• XLogP: 23.63
• TPSA: 438.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 40
• Rotatable Bonds: 33
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2289.60
LogP ≤ 5	23.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-methoxyethyl)-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;4-[[2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methyl]morpholine;methane;7-methoxy-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1,5-naphthyridin-4-amine;7-methoxy-4-[(1R)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propoxy]quinoline;7-methoxy-4-[(1S)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propoxy]quinoline?

The IUPAC name of 2-fluoro-N-(2-methoxyethyl)-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;4-[[2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methyl]morpholine;methane;7-methoxy-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1,5-naphthyridin-4-amine;7-methoxy-4-[(1R)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propoxy]quinoline;7-methoxy-4-[(1S)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propoxy]quinoline (CID 160503879) is 2-fluoro-N-(2-methoxyethyl)-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;4-[[2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methyl]morpholine;methane;7-methoxy-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1,5-naphthyridin-4-amine;7-methoxy-4-[(1R)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propoxy]quinoline;7-methoxy-4-[(1S)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propoxy]quinoline.

What is the SMILES notation for 2-fluoro-N-(2-methoxyethyl)-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;4-[[2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methyl]morpholine;methane;7-methoxy-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1,5-naphthyridin-4-amine;7-methoxy-4-[(1R)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propoxy]quinoline;7-methoxy-4-[(1S)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propoxy]quinoline?

The canonical SMILES for 2-fluoro-N-(2-methoxyethyl)-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;4-[[2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methyl]morpholine;methane;7-methoxy-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1,5-naphthyridin-4-amine;7-methoxy-4-[(1R)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propoxy]quinoline;7-methoxy-4-[(1S)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propoxy]quinoline is C.C.C.C.C.CC[C@@H](Oc1ccnc2cc(OC)ccc12)c1nnc2ccc(-c3ccccc3)nn12.CC[C@H](Oc1ccnc2cc(OC)ccc12)c1nnc2ccc(-c3ccccc3)nn12.COCCNC(=O)c1ccc(-c2ccc3nnc(COc4ccnc5cc(OC)ccc45)n3n2)cc1F.COc1ccc2c(OCc3nnc4ccc(-c5ccc(CN6CCOCC6)c(F)c5)nn34)ccnc2c1.COc1cnc2c(NCc3nnc4ccc(-c5ccccc5)nn34)ccnc2c1.

What is the InChIKey of 2-fluoro-N-(2-methoxyethyl)-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;4-[[2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methyl]morpholine;methane;7-methoxy-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1,5-naphthyridin-4-amine;7-methoxy-4-[(1R)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propoxy]quinoline;7-methoxy-4-[(1S)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propoxy]quinoline?

The InChIKey is QSDDKPLHDKNIOU-RLBVMUCSSA-N. The full InChI is InChI=1S/C27H25FN6O3.C26H23FN6O4.2C24H21N5O2.C21H17N7O.5CH4/c1-35-20-4-5-21-24(15-20)29-9-8-25(21)37-17-27-31-30-26-7-6-23(32-34(26)27)18-2-3-19(22(28)14-18)16-33-10-12-36-13-11-33;1-35-12-11-29-26(34)18-5-3-16(13-20(18)27)21-7-8-24-30-31-25(33(24)32-21)15-37-23-9-10-28-22-14-17(36-2)4-6-19(22)23;2*1-3-21(31-22-13-14-25-20-15-17(30-2)9-10-18(20)22)24-27-26-23-12-11-19(28-29(23)24)16-7-5-4-6-8-16;1-29-15-11-18-21(24-12-15)17(9-10-22-18)23-13-20-26-25-19-8-7-16(27-28(19)20)14-5-3-2-4-6-14;;;;;/h2-9,14-15H,10-13,16-17H2,1H3;3-10,13-14H,11-12,15H2,1-2H3,(H,29,34);2*4-15,21H,3H2,1-2H3;2-12H,13H2,1H3,(H,22,23);5*1H4/t;;2*21-;;;;;;/m..10....../s1.

What are the key properties of 2-fluoro-N-(2-methoxyethyl)-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;4-[[2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methyl]morpholine;methane;7-methoxy-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1,5-naphthyridin-4-amine;7-methoxy-4-[(1R)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propoxy]quinoline;7-methoxy-4-[(1S)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propoxy]quinoline?

2-fluoro-N-(2-methoxyethyl)-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;4-[[2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methyl]morpholine;methane;7-methoxy-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1,5-naphthyridin-4-amine;7-methoxy-4-[(1R)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propoxy]quinoline;7-methoxy-4-[(1S)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propoxy]quinoline has a molecular weight of 2289.60 g/mol, XLogP of 23.63, 33 rotatable bonds, 2 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 2-fluoro-N-(2-methoxyethyl)-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;4-[[2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methyl]morpholine;methane;7-methoxy-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1,5-naphthyridin-4-amine;7-methoxy-4-[(1R)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propoxy]quinoline;7-methoxy-4-[(1S)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propoxy]quinoline is sourced from PubChem (CID 160503879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).