1-cyclopropyl-3-[4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-2-pyridinyl]urea;N-[[6-(3,4-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;4-[[6-(3,5-dimethylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;methane;7-methoxy-N-[1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)cyclopropyl]-1,5-naphthyridin-4-amine;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-methyl-1,2-thiazole

C114H110F2N32O8S — CID 157088472

About 1-cyclopropyl-3-[4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-2-pyridinyl]urea;N-[[6-(3,4-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;4-[[6-(3,5-dimethylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;methane;7-methoxy-N-[1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)cyclopropyl]-1,5-naphthyridin-4-amine;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-methyl-1,2-thiazole

1-cyclopropyl-3-[4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-2-pyridinyl]urea;N-[[6-(3,4-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;4-[[6-(3,5-dimethylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;methane;7-methoxy-N-[1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)cyclopropyl]-1,5-naphthyridin-4-amine;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-methyl-1,2-thiazole (PubChem CID 157088472) has the molecular formula C114H110F2N32O8S and a molecular weight of 2126.41 g/mol. Its IUPAC name is 1-cyclopropyl-3-[4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-2-pyridinyl]urea;N-[[6-(3,4-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;4-[[6-(3,5-dimethylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;methane;7-methoxy-N-[1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)cyclopropyl]-1,5-naphthyridin-4-amine;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-methyl-1,2-thiazole.

Molecular Properties

• Compound Name: 1-cyclopropyl-3-[4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-2-pyridinyl]urea;N-[[6-(3,4-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;4-[[6-(3,5-dimethylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;methane;7-methoxy-N-[1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)cyclopropyl]-1,5-naphthyridin-4-amine;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-methyl-1,2-thiazole
• PubChem CID: 157088472
• Molecular Formula: C114H110F2N32O8S
• Molecular Weight: 2126.41 g/mol
• Exact Mass: 2124.89
• IUPAC Name: 1-cyclopropyl-3-[4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-2-pyridinyl]urea;N-[[6-(3,4-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;4-[[6-(3,5-dimethylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;methane;7-methoxy-N-[1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)cyclopropyl]-1,5-naphthyridin-4-amine;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-methyl-1,2-thiazole
• SMILES: C.C.C.C.C.COc1ccc2c(OCc3nnc4ccc(-c5cc(C)cc(C)c5)nn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5cc(C)ns5)nn34)ccnc2c1.COc1cnc2c(NC3(c4nnc5ccc(-c6ccccc6)nn45)CC3)ccnc2c1.COc1cnc2c(NCc3nnc4ccc(-c5ccc(F)c(F)c5)nn34)ccnc2c1.O=C(Nc1cc(OCc2nnc3ccc(-c4ccccc4)nn23)ccn1)NC1CC1
• InChI: InChI=1S/C24H21N5O2.C23H19N7O.C21H15F2N7O.C21H19N7O2.C20H16N6O2S.5CH4/c1-15-10-16(2)12-17(11-15)20-6-7-23-26-27-24(29(23)28-20)14-31-22-8-9-25-21-13-18(30-3)4-5-19(21)22;1-31-16-13-19-21(25-14-16)18(9-12-24-19)26-23(10-11-23)22-28-27-20-8-7-17(29-30(20)22)15-5-3-2-4-6-15;1-31-13-9-18-21(26-10-13)17(6-7-24-18)25-11-20-28-27-19-5-4-16(29-30(19)20)12-2-3-14(22)15(23)8-12;29-21(23-15-6-7-15)24-18-12-16(10-11-22-18)30-13-20-26-25-19-9-8-17(27-28(19)20)14-4-2-1-3-5-14;1-12-9-18(29-25-12)15-5-6-19-22-23-20(26(19)24-15)11-28-17-7-8-21-16-10-13(27-2)3-4-14(16)17;;;;;/h4-13H,14H2,1-3H3;2-9,12-14H,10-11H2,1H3,(H,24,26);2-10H,11H2,1H3,(H,24,25);1-5,8-12,15H,6-7,13H2,(H2,22,23,24,29);3-10H,11H2,1-2H3;5*1H4
• InChIKey: AEJIVXCZNPLCEV-UHFFFAOYSA-N
• XLogP: 21.94
• TPSA: 448.32 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 39
• Rotatable Bonds: 26
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2126.41
LogP ≤ 5	21.94
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-2-pyridinyl]urea;N-[[6-(3,4-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;4-[[6-(3,5-dimethylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;methane;7-methoxy-N-[1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)cyclopropyl]-1,5-naphthyridin-4-amine;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-methyl-1,2-thiazole?

The IUPAC name of 1-cyclopropyl-3-[4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-2-pyridinyl]urea;N-[[6-(3,4-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;4-[[6-(3,5-dimethylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;methane;7-methoxy-N-[1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)cyclopropyl]-1,5-naphthyridin-4-amine;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-methyl-1,2-thiazole (CID 157088472) is 1-cyclopropyl-3-[4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-2-pyridinyl]urea;N-[[6-(3,4-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;4-[[6-(3,5-dimethylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;methane;7-methoxy-N-[1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)cyclopropyl]-1,5-naphthyridin-4-amine;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-methyl-1,2-thiazole.

What is the SMILES notation for 1-cyclopropyl-3-[4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-2-pyridinyl]urea;N-[[6-(3,4-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;4-[[6-(3,5-dimethylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;methane;7-methoxy-N-[1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)cyclopropyl]-1,5-naphthyridin-4-amine;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-methyl-1,2-thiazole?

The canonical SMILES for 1-cyclopropyl-3-[4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-2-pyridinyl]urea;N-[[6-(3,4-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;4-[[6-(3,5-dimethylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;methane;7-methoxy-N-[1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)cyclopropyl]-1,5-naphthyridin-4-amine;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-methyl-1,2-thiazole is C.C.C.C.C.COc1ccc2c(OCc3nnc4ccc(-c5cc(C)cc(C)c5)nn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5cc(C)ns5)nn34)ccnc2c1.COc1cnc2c(NC3(c4nnc5ccc(-c6ccccc6)nn45)CC3)ccnc2c1.COc1cnc2c(NCc3nnc4ccc(-c5ccc(F)c(F)c5)nn34)ccnc2c1.O=C(Nc1cc(OCc2nnc3ccc(-c4ccccc4)nn23)ccn1)NC1CC1.

What is the InChIKey of 1-cyclopropyl-3-[4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-2-pyridinyl]urea;N-[[6-(3,4-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;4-[[6-(3,5-dimethylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;methane;7-methoxy-N-[1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)cyclopropyl]-1,5-naphthyridin-4-amine;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-methyl-1,2-thiazole?

The InChIKey is AEJIVXCZNPLCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O2.C23H19N7O.C21H15F2N7O.C21H19N7O2.C20H16N6O2S.5CH4/c1-15-10-16(2)12-17(11-15)20-6-7-23-26-27-24(29(23)28-20)14-31-22-8-9-25-21-13-18(30-3)4-5-19(21)22;1-31-16-13-19-21(25-14-16)18(9-12-24-19)26-23(10-11-23)22-28-27-20-8-7-17(29-30(20)22)15-5-3-2-4-6-15;1-31-13-9-18-21(26-10-13)17(6-7-24-18)25-11-20-28-27-19-5-4-16(29-30(19)20)12-2-3-14(22)15(23)8-12;29-21(23-15-6-7-15)24-18-12-16(10-11-22-18)30-13-20-26-25-19-9-8-17(27-28(19)20)14-4-2-1-3-5-14;1-12-9-18(29-25-12)15-5-6-19-22-23-20(26(19)24-15)11-28-17-7-8-21-16-10-13(27-2)3-4-14(16)17;;;;;/h4-13H,14H2,1-3H3;2-9,12-14H,10-11H2,1H3,(H,24,26);2-10H,11H2,1H3,(H,24,25);1-5,8-12,15H,6-7,13H2,(H2,22,23,24,29);3-10H,11H2,1-2H3;5*1H4.

What are the key properties of 1-cyclopropyl-3-[4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-2-pyridinyl]urea;N-[[6-(3,4-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;4-[[6-(3,5-dimethylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;methane;7-methoxy-N-[1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)cyclopropyl]-1,5-naphthyridin-4-amine;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-methyl-1,2-thiazole?

1-cyclopropyl-3-[4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-2-pyridinyl]urea;N-[[6-(3,4-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;4-[[6-(3,5-dimethylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;methane;7-methoxy-N-[1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)cyclopropyl]-1,5-naphthyridin-4-amine;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-methyl-1,2-thiazole has a molecular weight of 2126.41 g/mol, XLogP of 21.94, 26 rotatable bonds, 4 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopropyl-3-[4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]-2-pyridinyl]urea;N-[[6-(3,4-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;4-[[6-(3,5-dimethylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;methane;7-methoxy-N-[1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)cyclopropyl]-1,5-naphthyridin-4-amine;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3-methyl-1,2-thiazole is sourced from PubChem (CID 157088472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).