tert-butyl 4-[4-[3-[(7-methoxy-1,5-naphthyridin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate;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-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;4-[[6-(2,2-dimethyl-3H-1-benzofuran-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;methane;7-methoxy-N-[[6-(4-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine

C121H121ClF3N35O10S — CID 158594878

About tert-butyl 4-[4-[3-[(7-methoxy-1,5-naphthyridin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate;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-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;4-[[6-(2,2-dimethyl-3H-1-benzofuran-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;methane;7-methoxy-N-[[6-(4-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine

tert-butyl 4-[4-[3-[(7-methoxy-1,5-naphthyridin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate;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-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;4-[[6-(2,2-dimethyl-3H-1-benzofuran-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;methane;7-methoxy-N-[[6-(4-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine (PubChem CID 158594878) has the molecular formula C121H121ClF3N35O10S and a molecular weight of 2350.05 g/mol. Its IUPAC name is tert-butyl 4-[4-[3-[(7-methoxy-1,5-naphthyridin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate;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-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;4-[[6-(2,2-dimethyl-3H-1-benzofuran-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;methane;7-methoxy-N-[[6-(4-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine.

Molecular Properties

• Compound Name: tert-butyl 4-[4-[3-[(7-methoxy-1,5-naphthyridin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate;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-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;4-[[6-(2,2-dimethyl-3H-1-benzofuran-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;methane;7-methoxy-N-[[6-(4-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine
• PubChem CID: 158594878
• Molecular Formula: C121H121ClF3N35O10S
• Molecular Weight: 2350.05 g/mol
• Exact Mass: 2347.94
• IUPAC Name: tert-butyl 4-[4-[3-[(7-methoxy-1,5-naphthyridin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate;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-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;4-[[6-(2,2-dimethyl-3H-1-benzofuran-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;methane;7-methoxy-N-[[6-(4-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine
• SMILES: C.C.C.C.C.COc1ccc2c(OCc3nnc4ccc(-c5ccc6c(c5)CC(C)(C)O6)nn34)ccnc2c1.COc1cnc2c(NCc3nnc4ccc(-c5cc(C)cs5)nn34)ccnc2c1.COc1cnc2c(NCc3nnc4ccc(-c5cc(F)cc(Cl)c5)nn34)ccnc2c1.COc1cnc2c(NCc3nnc4ccc(-c5cc(F)cc(F)c5)nn34)ccnc2c1.COc1cnc2c(OCc3nnc4ccc(-c5cnn(C6CCN(C(=O)OC(C)(C)C)CC6)c5)nn34)ccnc2c1
• InChI: InChI=1S/C28H31N9O4.C26H23N5O3.C21H15ClFN7O.C21H15F2N7O.C20H17N7OS.5CH4/c1-28(2,3)41-27(38)35-11-8-19(9-12-35)36-16-18(14-31-36)21-5-6-24-32-33-25(37(24)34-21)17-40-23-7-10-29-22-13-20(39-4)15-30-26(22)23;1-26(2)14-17-12-16(4-8-22(17)34-26)20-7-9-24-28-29-25(31(24)30-20)15-33-23-10-11-27-21-13-18(32-3)5-6-19(21)23;2*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;1-12-7-17(29-11-12)14-3-4-18-24-25-19(27(18)26-14)10-22-15-5-6-21-16-8-13(28-2)9-23-20(15)16;;;;;/h5-7,10,13-16,19H,8-9,11-12,17H2,1-4H3;4-13H,14-15H2,1-3H3;2*2-10H,11H2,1H3,(H,24,25);3-9,11H,10H2,1-2H3,(H,21,22);5*1H4
• InChIKey: HUXCEATYFQWWDW-UHFFFAOYSA-N
• XLogP: 23.42
• TPSA: 488.70 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 45
• Rotatable Bonds: 26
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2350.05
LogP ≤ 5	23.42
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	45

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-[3-[(7-methoxy-1,5-naphthyridin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate;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-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;4-[[6-(2,2-dimethyl-3H-1-benzofuran-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;methane;7-methoxy-N-[[6-(4-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine?

The IUPAC name of tert-butyl 4-[4-[3-[(7-methoxy-1,5-naphthyridin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate;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-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;4-[[6-(2,2-dimethyl-3H-1-benzofuran-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;methane;7-methoxy-N-[[6-(4-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine (CID 158594878) is tert-butyl 4-[4-[3-[(7-methoxy-1,5-naphthyridin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate;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-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;4-[[6-(2,2-dimethyl-3H-1-benzofuran-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;methane;7-methoxy-N-[[6-(4-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine.

What is the SMILES notation for tert-butyl 4-[4-[3-[(7-methoxy-1,5-naphthyridin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate;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-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;4-[[6-(2,2-dimethyl-3H-1-benzofuran-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;methane;7-methoxy-N-[[6-(4-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine?

The canonical SMILES for tert-butyl 4-[4-[3-[(7-methoxy-1,5-naphthyridin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate;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-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;4-[[6-(2,2-dimethyl-3H-1-benzofuran-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;methane;7-methoxy-N-[[6-(4-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine is C.C.C.C.C.COc1ccc2c(OCc3nnc4ccc(-c5ccc6c(c5)CC(C)(C)O6)nn34)ccnc2c1.COc1cnc2c(NCc3nnc4ccc(-c5cc(C)cs5)nn34)ccnc2c1.COc1cnc2c(NCc3nnc4ccc(-c5cc(F)cc(Cl)c5)nn34)ccnc2c1.COc1cnc2c(NCc3nnc4ccc(-c5cc(F)cc(F)c5)nn34)ccnc2c1.COc1cnc2c(OCc3nnc4ccc(-c5cnn(C6CCN(C(=O)OC(C)(C)C)CC6)c5)nn34)ccnc2c1.

What is the InChIKey of tert-butyl 4-[4-[3-[(7-methoxy-1,5-naphthyridin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate;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-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;4-[[6-(2,2-dimethyl-3H-1-benzofuran-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;methane;7-methoxy-N-[[6-(4-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine?

The InChIKey is HUXCEATYFQWWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N9O4.C26H23N5O3.C21H15ClFN7O.C21H15F2N7O.C20H17N7OS.5CH4/c1-28(2,3)41-27(38)35-11-8-19(9-12-35)36-16-18(14-31-36)21-5-6-24-32-33-25(37(24)34-21)17-40-23-7-10-29-22-13-20(39-4)15-30-26(22)23;1-26(2)14-17-12-16(4-8-22(17)34-26)20-7-9-24-28-29-25(31(24)30-20)15-33-23-10-11-27-21-13-18(32-3)5-6-19(21)23;2*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;1-12-7-17(29-11-12)14-3-4-18-24-25-19(27(18)26-14)10-22-15-5-6-21-16-8-13(28-2)9-23-20(15)16;;;;;/h5-7,10,13-16,19H,8-9,11-12,17H2,1-4H3;4-13H,14-15H2,1-3H3;2*2-10H,11H2,1H3,(H,24,25);3-9,11H,10H2,1-2H3,(H,21,22);5*1H4.

What are the key properties of tert-butyl 4-[4-[3-[(7-methoxy-1,5-naphthyridin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate;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-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;4-[[6-(2,2-dimethyl-3H-1-benzofuran-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;methane;7-methoxy-N-[[6-(4-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine?

tert-butyl 4-[4-[3-[(7-methoxy-1,5-naphthyridin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate;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-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;4-[[6-(2,2-dimethyl-3H-1-benzofuran-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;methane;7-methoxy-N-[[6-(4-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine has a molecular weight of 2350.05 g/mol, XLogP of 23.42, 26 rotatable bonds, 3 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[4-[3-[(7-methoxy-1,5-naphthyridin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate;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-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;4-[[6-(2,2-dimethyl-3H-1-benzofuran-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;methane;7-methoxy-N-[[6-(4-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine is sourced from PubChem (CID 158594878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).