4-[[6-(3,4-difluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;4-[[6-(3-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;N-[(6-phenylimidazo[1,2-b]pyridazin-3-yl)methyl]thieno[3,2-b]pyridin-7-amine;2-N-phenyl-4-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]pyrimidine-2,4-diamine;N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1H-imidazo[4,5-b]pyridin-7-amine

C106H80F3N29O4S — CID 159684368

About 4-[[6-(3,4-difluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;4-[[6-(3-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;N-[(6-phenylimidazo[1,2-b]pyridazin-3-yl)methyl]thieno[3,2-b]pyridin-7-amine;2-N-phenyl-4-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]pyrimidine-2,4-diamine;N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1H-imidazo[4,5-b]pyridin-7-amine

4-[[6-(3,4-difluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;4-[[6-(3-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;N-[(6-phenylimidazo[1,2-b]pyridazin-3-yl)methyl]thieno[3,2-b]pyridin-7-amine;2-N-phenyl-4-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]pyrimidine-2,4-diamine;N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1H-imidazo[4,5-b]pyridin-7-amine (PubChem CID 159684368) has the molecular formula C106H80F3N29O4S and a molecular weight of 1913.07 g/mol. Its IUPAC name is 4-[[6-(3,4-difluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;4-[[6-(3-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;N-[(6-phenylimidazo[1,2-b]pyridazin-3-yl)methyl]thieno[3,2-b]pyridin-7-amine;2-N-phenyl-4-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]pyrimidine-2,4-diamine;N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1H-imidazo[4,5-b]pyridin-7-amine.

Molecular Properties

• Compound Name: 4-[[6-(3,4-difluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;4-[[6-(3-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;N-[(6-phenylimidazo[1,2-b]pyridazin-3-yl)methyl]thieno[3,2-b]pyridin-7-amine;2-N-phenyl-4-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]pyrimidine-2,4-diamine;N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1H-imidazo[4,5-b]pyridin-7-amine
• PubChem CID: 159684368
• Molecular Formula: C106H80F3N29O4S
• Molecular Weight: 1913.07 g/mol
• Exact Mass: 1911.66
• IUPAC Name: 4-[[6-(3,4-difluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;4-[[6-(3-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;N-[(6-phenylimidazo[1,2-b]pyridazin-3-yl)methyl]thieno[3,2-b]pyridin-7-amine;2-N-phenyl-4-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]pyrimidine-2,4-diamine;N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1H-imidazo[4,5-b]pyridin-7-amine
• SMILES: COc1ccc2c(OCc3cnc4ccc(-c5ccc(F)c(F)c5)nn34)ccnc2c1.COc1ccc2c(OCc3cnc4ccc(-c5cccc(F)c5)nn34)ccnc2c1.c1ccc(-c2ccc3ncc(CNc4ccnc5ccsc45)n3n2)cc1.c1ccc(-c2ccc3nnc(CNc4ccnc5nc[nH]c45)n3n2)cc1.c1ccc(Nc2nccc(NCc3nnc4ccc(-c5ccccc5)nn34)n2)cc1
• InChI: InChI=1S/C23H16F2N4O2.C23H17FN4O2.C22H18N8.C20H15N5S.C18H14N8/c1-30-16-3-4-17-21(11-16)26-9-8-22(17)31-13-15-12-27-23-7-6-20(28-29(15)23)14-2-5-18(24)19(25)10-14;1-29-18-5-6-19-21(12-18)25-10-9-22(19)30-14-17-13-26-23-8-7-20(27-28(17)23)15-3-2-4-16(24)11-15;1-3-7-16(8-4-1)18-11-12-20-27-28-21(30(20)29-18)15-24-19-13-14-23-22(26-19)25-17-9-5-2-6-10-17;1-2-4-14(5-3-1)16-6-7-19-23-13-15(25(19)24-16)12-22-17-8-10-21-18-9-11-26-20(17)18;1-2-4-12(5-3-1)13-6-7-15-23-24-16(26(15)25-13)10-20-14-8-9-19-18-17(14)21-11-22-18/h2-12H,13H2,1H3;2-13H,14H2,1H3;1-14H,15H2,(H2,23,24,25,26);1-11,13H,12H2,(H,21,22);1-9,11H,10H2,(H2,19,20,21,22)
• InChIKey: MVPHNQNMBPBSOE-UHFFFAOYSA-N
• XLogP: 20.71
• TPSA: 367.79 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 33
• Rotatable Bonds: 24
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1913.07
LogP ≤ 5	20.71
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(3,4-difluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;4-[[6-(3-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;N-[(6-phenylimidazo[1,2-b]pyridazin-3-yl)methyl]thieno[3,2-b]pyridin-7-amine;2-N-phenyl-4-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]pyrimidine-2,4-diamine;N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1H-imidazo[4,5-b]pyridin-7-amine?

The IUPAC name of 4-[[6-(3,4-difluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;4-[[6-(3-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;N-[(6-phenylimidazo[1,2-b]pyridazin-3-yl)methyl]thieno[3,2-b]pyridin-7-amine;2-N-phenyl-4-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]pyrimidine-2,4-diamine;N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1H-imidazo[4,5-b]pyridin-7-amine (CID 159684368) is 4-[[6-(3,4-difluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;4-[[6-(3-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;N-[(6-phenylimidazo[1,2-b]pyridazin-3-yl)methyl]thieno[3,2-b]pyridin-7-amine;2-N-phenyl-4-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]pyrimidine-2,4-diamine;N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1H-imidazo[4,5-b]pyridin-7-amine.

What is the SMILES notation for 4-[[6-(3,4-difluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;4-[[6-(3-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;N-[(6-phenylimidazo[1,2-b]pyridazin-3-yl)methyl]thieno[3,2-b]pyridin-7-amine;2-N-phenyl-4-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]pyrimidine-2,4-diamine;N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1H-imidazo[4,5-b]pyridin-7-amine?

The canonical SMILES for 4-[[6-(3,4-difluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;4-[[6-(3-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;N-[(6-phenylimidazo[1,2-b]pyridazin-3-yl)methyl]thieno[3,2-b]pyridin-7-amine;2-N-phenyl-4-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]pyrimidine-2,4-diamine;N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1H-imidazo[4,5-b]pyridin-7-amine is COc1ccc2c(OCc3cnc4ccc(-c5ccc(F)c(F)c5)nn34)ccnc2c1.COc1ccc2c(OCc3cnc4ccc(-c5cccc(F)c5)nn34)ccnc2c1.c1ccc(-c2ccc3ncc(CNc4ccnc5ccsc45)n3n2)cc1.c1ccc(-c2ccc3nnc(CNc4ccnc5nc[nH]c45)n3n2)cc1.c1ccc(Nc2nccc(NCc3nnc4ccc(-c5ccccc5)nn34)n2)cc1.

What is the InChIKey of 4-[[6-(3,4-difluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;4-[[6-(3-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;N-[(6-phenylimidazo[1,2-b]pyridazin-3-yl)methyl]thieno[3,2-b]pyridin-7-amine;2-N-phenyl-4-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]pyrimidine-2,4-diamine;N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1H-imidazo[4,5-b]pyridin-7-amine?

The InChIKey is MVPHNQNMBPBSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F2N4O2.C23H17FN4O2.C22H18N8.C20H15N5S.C18H14N8/c1-30-16-3-4-17-21(11-16)26-9-8-22(17)31-13-15-12-27-23-7-6-20(28-29(15)23)14-2-5-18(24)19(25)10-14;1-29-18-5-6-19-21(12-18)25-10-9-22(19)30-14-17-13-26-23-8-7-20(27-28(17)23)15-3-2-4-16(24)11-15;1-3-7-16(8-4-1)18-11-12-20-27-28-21(30(20)29-18)15-24-19-13-14-23-22(26-19)25-17-9-5-2-6-10-17;1-2-4-14(5-3-1)16-6-7-19-23-13-15(25(19)24-16)12-22-17-8-10-21-18-9-11-26-20(17)18;1-2-4-12(5-3-1)13-6-7-15-23-24-16(26(15)25-13)10-20-14-8-9-19-18-17(14)21-11-22-18/h2-12H,13H2,1H3;2-13H,14H2,1H3;1-14H,15H2,(H2,23,24,25,26);1-11,13H,12H2,(H,21,22);1-9,11H,10H2,(H2,19,20,21,22).

What are the key properties of 4-[[6-(3,4-difluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;4-[[6-(3-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;N-[(6-phenylimidazo[1,2-b]pyridazin-3-yl)methyl]thieno[3,2-b]pyridin-7-amine;2-N-phenyl-4-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]pyrimidine-2,4-diamine;N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1H-imidazo[4,5-b]pyridin-7-amine?

4-[[6-(3,4-difluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;4-[[6-(3-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;N-[(6-phenylimidazo[1,2-b]pyridazin-3-yl)methyl]thieno[3,2-b]pyridin-7-amine;2-N-phenyl-4-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]pyrimidine-2,4-diamine;N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1H-imidazo[4,5-b]pyridin-7-amine has a molecular weight of 1913.07 g/mol, XLogP of 20.71, 24 rotatable bonds, 5 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[6-(3,4-difluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;4-[[6-(3-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;N-[(6-phenylimidazo[1,2-b]pyridazin-3-yl)methyl]thieno[3,2-b]pyridin-7-amine;2-N-phenyl-4-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]pyrimidine-2,4-diamine;N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1H-imidazo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 159684368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).