tert-butyl 4-[5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-pyridinyl]piperazine-1-carboxylate;7-methoxy-3-methyl-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;7-methoxy-N-[[6-(3-methyl-1,2-thiazol-5-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]-1H-pyridin-2-one;N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-7-(2-pyrrolidin-1-ylethoxy)-1,5-naphthyridin-4-amine

C119H109N35O11S — CID 157356755

About tert-butyl 4-[5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-pyridinyl]piperazine-1-carboxylate;7-methoxy-3-methyl-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;7-methoxy-N-[[6-(3-methyl-1,2-thiazol-5-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]-1H-pyridin-2-one;N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-7-(2-pyrrolidin-1-ylethoxy)-1,5-naphthyridin-4-amine

tert-butyl 4-[5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-pyridinyl]piperazine-1-carboxylate;7-methoxy-3-methyl-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;7-methoxy-N-[[6-(3-methyl-1,2-thiazol-5-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]-1H-pyridin-2-one;N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-7-(2-pyrrolidin-1-ylethoxy)-1,5-naphthyridin-4-amine (PubChem CID 157356755) has the molecular formula C119H109N35O11S and a molecular weight of 2237.48 g/mol. Its IUPAC name is tert-butyl 4-[5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-pyridinyl]piperazine-1-carboxylate;7-methoxy-3-methyl-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;7-methoxy-N-[[6-(3-methyl-1,2-thiazol-5-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]-1H-pyridin-2-one;N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-7-(2-pyrrolidin-1-ylethoxy)-1,5-naphthyridin-4-amine.

Molecular Properties

• Compound Name: tert-butyl 4-[5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-pyridinyl]piperazine-1-carboxylate;7-methoxy-3-methyl-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;7-methoxy-N-[[6-(3-methyl-1,2-thiazol-5-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]-1H-pyridin-2-one;N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-7-(2-pyrrolidin-1-ylethoxy)-1,5-naphthyridin-4-amine
• PubChem CID: 157356755
• Molecular Formula: C119H109N35O11S
• Molecular Weight: 2237.48 g/mol
• Exact Mass: 2235.88
• IUPAC Name: tert-butyl 4-[5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-pyridinyl]piperazine-1-carboxylate;7-methoxy-3-methyl-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;7-methoxy-N-[[6-(3-methyl-1,2-thiazol-5-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]-1H-pyridin-2-one;N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-7-(2-pyrrolidin-1-ylethoxy)-1,5-naphthyridin-4-amine
• SMILES: COc1ccc2c(OCc3nnc4ccc(-c5ccc(=O)[nH]c5)nn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5ccc(N6CCN(C(=O)OC(C)(C)C)CC6)nc5)nn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5ccccc5)nn34)c(C)cnc2c1.COc1cnc2c(NCc3nnc4ccc(-c5cc(C)ns5)nn34)ccnc2c1.c1ccc(-c2ccc3nnc(CNc4ccnc5cc(OCCN6CCCC6)cnc45)n3n2)cc1
• InChI: InChI=1S/C30H32N8O4.C26H26N8O.C23H19N5O2.C21H16N6O3.C19H16N8OS/c1-30(2,3)42-29(39)37-15-13-36(14-16-37)26-9-5-20(18-32-26)23-8-10-27-33-34-28(38(27)35-23)19-41-25-11-12-31-24-17-21(40-4)6-7-22(24)25;1-2-6-19(7-3-1)21-8-9-24-30-31-25(34(24)32-21)18-28-22-10-11-27-23-16-20(17-29-26(22)23)35-15-14-33-12-4-5-13-33;1-15-13-24-20-12-17(29-2)8-9-18(20)23(15)30-14-22-26-25-21-11-10-19(27-28(21)22)16-6-4-3-5-7-16;1-29-14-3-4-15-17(10-14)22-9-8-18(15)30-12-20-25-24-19-6-5-16(26-27(19)20)13-2-7-21(28)23-11-13;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/h5-12,17-18H,13-16,19H2,1-4H3;1-3,6-11,16-17H,4-5,12-15,18H2,(H,27,28);3-13H,14H2,1-2H3;2-11H,12H2,1H3,(H,23,28);3-9H,10H2,1-2H3,(H,20,21)
• InChIKey: BIEDOXNQBGGRQO-UHFFFAOYSA-N
• XLogP: 18.17
• TPSA: 498.19 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 45
• Rotatable Bonds: 29
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2237.48
LogP ≤ 5	18.17
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	45

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-pyridinyl]piperazine-1-carboxylate;7-methoxy-3-methyl-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;7-methoxy-N-[[6-(3-methyl-1,2-thiazol-5-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]-1H-pyridin-2-one;N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-7-(2-pyrrolidin-1-ylethoxy)-1,5-naphthyridin-4-amine?

The IUPAC name of tert-butyl 4-[5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-pyridinyl]piperazine-1-carboxylate;7-methoxy-3-methyl-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;7-methoxy-N-[[6-(3-methyl-1,2-thiazol-5-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]-1H-pyridin-2-one;N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-7-(2-pyrrolidin-1-ylethoxy)-1,5-naphthyridin-4-amine (CID 157356755) is tert-butyl 4-[5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-pyridinyl]piperazine-1-carboxylate;7-methoxy-3-methyl-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;7-methoxy-N-[[6-(3-methyl-1,2-thiazol-5-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]-1H-pyridin-2-one;N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-7-(2-pyrrolidin-1-ylethoxy)-1,5-naphthyridin-4-amine.

What is the SMILES notation for tert-butyl 4-[5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-pyridinyl]piperazine-1-carboxylate;7-methoxy-3-methyl-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;7-methoxy-N-[[6-(3-methyl-1,2-thiazol-5-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]-1H-pyridin-2-one;N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-7-(2-pyrrolidin-1-ylethoxy)-1,5-naphthyridin-4-amine?

The canonical SMILES for tert-butyl 4-[5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-pyridinyl]piperazine-1-carboxylate;7-methoxy-3-methyl-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;7-methoxy-N-[[6-(3-methyl-1,2-thiazol-5-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]-1H-pyridin-2-one;N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-7-(2-pyrrolidin-1-ylethoxy)-1,5-naphthyridin-4-amine is COc1ccc2c(OCc3nnc4ccc(-c5ccc(=O)[nH]c5)nn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5ccc(N6CCN(C(=O)OC(C)(C)C)CC6)nc5)nn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5ccccc5)nn34)c(C)cnc2c1.COc1cnc2c(NCc3nnc4ccc(-c5cc(C)ns5)nn34)ccnc2c1.c1ccc(-c2ccc3nnc(CNc4ccnc5cc(OCCN6CCCC6)cnc45)n3n2)cc1.

What is the InChIKey of tert-butyl 4-[5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-pyridinyl]piperazine-1-carboxylate;7-methoxy-3-methyl-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;7-methoxy-N-[[6-(3-methyl-1,2-thiazol-5-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]-1H-pyridin-2-one;N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-7-(2-pyrrolidin-1-ylethoxy)-1,5-naphthyridin-4-amine?

The InChIKey is BIEDOXNQBGGRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N8O4.C26H26N8O.C23H19N5O2.C21H16N6O3.C19H16N8OS/c1-30(2,3)42-29(39)37-15-13-36(14-16-37)26-9-5-20(18-32-26)23-8-10-27-33-34-28(38(27)35-23)19-41-25-11-12-31-24-17-21(40-4)6-7-22(24)25;1-2-6-19(7-3-1)21-8-9-24-30-31-25(34(24)32-21)18-28-22-10-11-27-23-16-20(17-29-26(22)23)35-15-14-33-12-4-5-13-33;1-15-13-24-20-12-17(29-2)8-9-18(20)23(15)30-14-22-26-25-21-11-10-19(27-28(21)22)16-6-4-3-5-7-16;1-29-14-3-4-15-17(10-14)22-9-8-18(15)30-12-20-25-24-19-6-5-16(26-27(19)20)13-2-7-21(28)23-11-13;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/h5-12,17-18H,13-16,19H2,1-4H3;1-3,6-11,16-17H,4-5,12-15,18H2,(H,27,28);3-13H,14H2,1-2H3;2-11H,12H2,1H3,(H,23,28);3-9H,10H2,1-2H3,(H,20,21).

What are the key properties of tert-butyl 4-[5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-pyridinyl]piperazine-1-carboxylate;7-methoxy-3-methyl-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;7-methoxy-N-[[6-(3-methyl-1,2-thiazol-5-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]-1H-pyridin-2-one;N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-7-(2-pyrrolidin-1-ylethoxy)-1,5-naphthyridin-4-amine?

tert-butyl 4-[5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-pyridinyl]piperazine-1-carboxylate;7-methoxy-3-methyl-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;7-methoxy-N-[[6-(3-methyl-1,2-thiazol-5-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]-1H-pyridin-2-one;N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-7-(2-pyrrolidin-1-ylethoxy)-1,5-naphthyridin-4-amine has a molecular weight of 2237.48 g/mol, XLogP of 18.17, 29 rotatable bonds, 3 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-pyridinyl]piperazine-1-carboxylate;7-methoxy-3-methyl-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;7-methoxy-N-[[6-(3-methyl-1,2-thiazol-5-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]-1H-pyridin-2-one;N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-7-(2-pyrrolidin-1-ylethoxy)-1,5-naphthyridin-4-amine is sourced from PubChem (CID 157356755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).