bis(N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1,3-dimethylpiperazin-2-yl]methyl]methanesulfonamide);N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-hydroxy-2,4-dimethylpiperidin-3-yl]methyl]methanesulfonamide;bis(N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-hydroxy-4,6-dimethylpiperidin-3-yl]methyl]methanesulfonamide)

C98H123F10N37O13S5 — CID 158451717

About bis(N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1,3-dimethylpiperazin-2-yl]methyl]methanesulfonamide);N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-hydroxy-2,4-dimethylpiperidin-3-yl]methyl]methanesulfonamide;bis(N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-hydroxy-4,6-dimethylpiperidin-3-yl]methyl]methanesulfonamide)

bis(N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1,3-dimethylpiperazin-2-yl]methyl]methanesulfonamide);N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-hydroxy-2,4-dimethylpiperidin-3-yl]methyl]methanesulfonamide;bis(N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-hydroxy-4,6-dimethylpiperidin-3-yl]methyl]methanesulfonamide) (PubChem CID 158451717) has the molecular formula C98H123F10N37O13S5 and a molecular weight of 2377.62 g/mol. Its IUPAC name is bis(N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1,3-dimethylpiperazin-2-yl]methyl]methanesulfonamide);N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-hydroxy-2,4-dimethylpiperidin-3-yl]methyl]methanesulfonamide;bis(N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-hydroxy-4,6-dimethylpiperidin-3-yl]methyl]methanesulfonamide).

Molecular Properties

• Compound Name: bis(N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1,3-dimethylpiperazin-2-yl]methyl]methanesulfonamide);N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-hydroxy-2,4-dimethylpiperidin-3-yl]methyl]methanesulfonamide;bis(N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-hydroxy-4,6-dimethylpiperidin-3-yl]methyl]methanesulfonamide)
• PubChem CID: 158451717
• Molecular Formula: C98H123F10N37O13S5
• Molecular Weight: 2377.62 g/mol
• Exact Mass: 2375.85
• IUPAC Name: bis(N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1,3-dimethylpiperazin-2-yl]methyl]methanesulfonamide);N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-hydroxy-2,4-dimethylpiperidin-3-yl]methyl]methanesulfonamide;bis(N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-hydroxy-4,6-dimethylpiperidin-3-yl]methyl]methanesulfonamide)
• SMILES: CC1C(CNS(C)(=O)=O)C(C)(O)CCN1c1cc(-c2cnc3ccc(C(F)F)nn23)ncn1.CC1C(CNS(C)(=O)=O)N(C)CCN1c1cc(-c2cnc3ccc(C(F)F)nn23)ncn1.CC1C(CNS(C)(=O)=O)N(C)CCN1c1cc(-c2cnc3ccc(C(F)F)nn23)ncn1.CC1CC(C)(O)C(CNS(C)(=O)=O)CN1c1cc(-c2cnc3ccc(C(F)F)nn23)ncn1.CC1CC(C)(O)C(CNS(C)(=O)=O)CN1c1cc(-c2cnc3ccc(C(F)F)nn23)ncn1
• InChI: InChI=1S/3C20H25F2N7O3S.2C19H24F2N8O2S/c2*1-12-7-20(2,30)13(8-26-33(3,31)32)10-28(12)18-6-15(24-11-25-18)16-9-23-17-5-4-14(19(21)22)27-29(16)17;1-12-13(9-26-33(3,31)32)20(2,30)6-7-28(12)18-8-15(24-11-25-18)16-10-23-17-5-4-14(19(21)22)27-29(16)17;2*1-12-15(10-25-32(3,30)31)27(2)6-7-28(12)18-8-14(23-11-24-18)16-9-22-17-5-4-13(19(20)21)26-29(16)17/h2*4-6,9,11-13,19,26,30H,7-8,10H2,1-3H3;4-5,8,10-13,19,26,30H,6-7,9H2,1-3H3;2*4-5,8-9,11-12,15,19,25H,6-7,10H2,1-3H3
• InChIKey: HEBSSUANTNYBGW-UHFFFAOYSA-N
• XLogP: 7.28
• TPSA: 594.07 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 45
• Rotatable Bonds: 30
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2377.62
LogP ≤ 5	7.28
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	45

Frequently Asked Questions

What is the IUPAC name of bis(N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1,3-dimethylpiperazin-2-yl]methyl]methanesulfonamide);N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-hydroxy-2,4-dimethylpiperidin-3-yl]methyl]methanesulfonamide;bis(N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-hydroxy-4,6-dimethylpiperidin-3-yl]methyl]methanesulfonamide)?

The IUPAC name of bis(N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1,3-dimethylpiperazin-2-yl]methyl]methanesulfonamide);N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-hydroxy-2,4-dimethylpiperidin-3-yl]methyl]methanesulfonamide;bis(N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-hydroxy-4,6-dimethylpiperidin-3-yl]methyl]methanesulfonamide) (CID 158451717) is bis(N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1,3-dimethylpiperazin-2-yl]methyl]methanesulfonamide);N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-hydroxy-2,4-dimethylpiperidin-3-yl]methyl]methanesulfonamide;bis(N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-hydroxy-4,6-dimethylpiperidin-3-yl]methyl]methanesulfonamide).

What is the SMILES notation for bis(N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1,3-dimethylpiperazin-2-yl]methyl]methanesulfonamide);N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-hydroxy-2,4-dimethylpiperidin-3-yl]methyl]methanesulfonamide;bis(N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-hydroxy-4,6-dimethylpiperidin-3-yl]methyl]methanesulfonamide)?

The canonical SMILES for bis(N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1,3-dimethylpiperazin-2-yl]methyl]methanesulfonamide);N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-hydroxy-2,4-dimethylpiperidin-3-yl]methyl]methanesulfonamide;bis(N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-hydroxy-4,6-dimethylpiperidin-3-yl]methyl]methanesulfonamide) is CC1C(CNS(C)(=O)=O)C(C)(O)CCN1c1cc(-c2cnc3ccc(C(F)F)nn23)ncn1.CC1C(CNS(C)(=O)=O)N(C)CCN1c1cc(-c2cnc3ccc(C(F)F)nn23)ncn1.CC1C(CNS(C)(=O)=O)N(C)CCN1c1cc(-c2cnc3ccc(C(F)F)nn23)ncn1.CC1CC(C)(O)C(CNS(C)(=O)=O)CN1c1cc(-c2cnc3ccc(C(F)F)nn23)ncn1.CC1CC(C)(O)C(CNS(C)(=O)=O)CN1c1cc(-c2cnc3ccc(C(F)F)nn23)ncn1.

What is the InChIKey of bis(N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1,3-dimethylpiperazin-2-yl]methyl]methanesulfonamide);N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-hydroxy-2,4-dimethylpiperidin-3-yl]methyl]methanesulfonamide;bis(N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-hydroxy-4,6-dimethylpiperidin-3-yl]methyl]methanesulfonamide)?

The InChIKey is HEBSSUANTNYBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/3C20H25F2N7O3S.2C19H24F2N8O2S/c2*1-12-7-20(2,30)13(8-26-33(3,31)32)10-28(12)18-6-15(24-11-25-18)16-9-23-17-5-4-14(19(21)22)27-29(16)17;1-12-13(9-26-33(3,31)32)20(2,30)6-7-28(12)18-8-15(24-11-25-18)16-10-23-17-5-4-14(19(21)22)27-29(16)17;2*1-12-15(10-25-32(3,30)31)27(2)6-7-28(12)18-8-14(23-11-24-18)16-9-22-17-5-4-13(19(20)21)26-29(16)17/h2*4-6,9,11-13,19,26,30H,7-8,10H2,1-3H3;4-5,8,10-13,19,26,30H,6-7,9H2,1-3H3;2*4-5,8-9,11-12,15,19,25H,6-7,10H2,1-3H3.

What are the key properties of bis(N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1,3-dimethylpiperazin-2-yl]methyl]methanesulfonamide);N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-hydroxy-2,4-dimethylpiperidin-3-yl]methyl]methanesulfonamide;bis(N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-hydroxy-4,6-dimethylpiperidin-3-yl]methyl]methanesulfonamide)?

bis(N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1,3-dimethylpiperazin-2-yl]methyl]methanesulfonamide);N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-hydroxy-2,4-dimethylpiperidin-3-yl]methyl]methanesulfonamide;bis(N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-hydroxy-4,6-dimethylpiperidin-3-yl]methyl]methanesulfonamide) has a molecular weight of 2377.62 g/mol, XLogP of 7.28, 30 rotatable bonds, 8 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for bis(N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1,3-dimethylpiperazin-2-yl]methyl]methanesulfonamide);N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-hydroxy-2,4-dimethylpiperidin-3-yl]methyl]methanesulfonamide;bis(N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-hydroxy-4,6-dimethylpiperidin-3-yl]methyl]methanesulfonamide) is sourced from PubChem (CID 158451717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).