bis(N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-2-methylpiperidin-3-yl]methyl]methanesulfonamide);bis(N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-6-methylpiperidin-3-yl]methyl]methanesulfonamide);N-[[(2R,6R)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methyl]methanesulfonamide

C94H105F18N35O11S5 — CID 158728794

About bis(N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-2-methylpiperidin-3-yl]methyl]methanesulfonamide);bis(N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-6-methylpiperidin-3-yl]methyl]methanesulfonamide);N-[[(2R,6R)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methyl]methanesulfonamide

bis(N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-2-methylpiperidin-3-yl]methyl]methanesulfonamide);bis(N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-6-methylpiperidin-3-yl]methyl]methanesulfonamide);N-[[(2R,6R)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methyl]methanesulfonamide (PubChem CID 158728794) has the molecular formula C94H105F18N35O11S5 and a molecular weight of 2403.41 g/mol. Its IUPAC name is bis(N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-2-methylpiperidin-3-yl]methyl]methanesulfonamide);bis(N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-6-methylpiperidin-3-yl]methyl]methanesulfonamide);N-[[(2R,6R)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methyl]methanesulfonamide.

Molecular Properties

• Compound Name: bis(N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-2-methylpiperidin-3-yl]methyl]methanesulfonamide);bis(N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-6-methylpiperidin-3-yl]methyl]methanesulfonamide);N-[[(2R,6R)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methyl]methanesulfonamide
• PubChem CID: 158728794
• Molecular Formula: C94H105F18N35O11S5
• Molecular Weight: 2403.41 g/mol
• Exact Mass: 2401.70
• IUPAC Name: bis(N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-2-methylpiperidin-3-yl]methyl]methanesulfonamide);bis(N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-6-methylpiperidin-3-yl]methyl]methanesulfonamide);N-[[(2R,6R)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methyl]methanesulfonamide
• SMILES: CC1C(CNS(C)(=O)=O)C(F)(F)CCN1c1cc(-c2cnc3ccc(C(F)F)nn23)ncn1.CC1C(CNS(C)(=O)=O)C(F)(F)CCN1c1cc(-c2cnc3ccc(C(F)F)nn23)ncn1.CC1CC(F)(F)C(CNS(C)(=O)=O)CN1c1cc(-c2cnc3ccc(C(F)F)nn23)ncn1.CC1CC(F)(F)C(CNS(C)(=O)=O)CN1c1cc(-c2cnc3ccc(C(F)F)nn23)ncn1.C[C@@H]1CN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C[C@H](CNS(C)(=O)=O)O1
• InChI: InChI=1S/4C19H21F4N7O2S.C18H21F2N7O3S/c2*1-11-6-19(22,23)12(7-27-33(2,31)32)9-29(11)17-5-14(25-10-26-17)15-8-24-16-4-3-13(18(20)21)28-30(15)16;2*1-11-12(8-27-33(2,31)32)19(22,23)5-6-29(11)17-7-14(25-10-26-17)15-9-24-16-4-3-13(18(20)21)28-30(15)16;1-11-8-26(9-12(30-11)6-24-31(2,28)29)17-5-14(22-10-23-17)15-7-21-16-4-3-13(18(19)20)25-27(15)16/h2*3-5,8,10-12,18,27H,6-7,9H2,1-2H3;2*3-4,7,9-12,18,27H,5-6,8H2,1-2H3;3-5,7,10-12,18,24H,6,8-9H2,1-2H3/t;;;;11-,12+/m....1/s1
• InChIKey: IKVLDXUHNGBMMJ-VSCCLQDUSA-N
• XLogP: 11.36
• TPSA: 536.13 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 41
• Rotatable Bonds: 30
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2403.41
LogP ≤ 5	11.36
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	41

Frequently Asked Questions

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

The IUPAC name of bis(N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-2-methylpiperidin-3-yl]methyl]methanesulfonamide);bis(N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-6-methylpiperidin-3-yl]methyl]methanesulfonamide);N-[[(2R,6R)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methyl]methanesulfonamide (CID 158728794) is bis(N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-2-methylpiperidin-3-yl]methyl]methanesulfonamide);bis(N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-6-methylpiperidin-3-yl]methyl]methanesulfonamide);N-[[(2R,6R)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methyl]methanesulfonamide.

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

The canonical SMILES for bis(N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-2-methylpiperidin-3-yl]methyl]methanesulfonamide);bis(N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-6-methylpiperidin-3-yl]methyl]methanesulfonamide);N-[[(2R,6R)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methyl]methanesulfonamide is CC1C(CNS(C)(=O)=O)C(F)(F)CCN1c1cc(-c2cnc3ccc(C(F)F)nn23)ncn1.CC1C(CNS(C)(=O)=O)C(F)(F)CCN1c1cc(-c2cnc3ccc(C(F)F)nn23)ncn1.CC1CC(F)(F)C(CNS(C)(=O)=O)CN1c1cc(-c2cnc3ccc(C(F)F)nn23)ncn1.CC1CC(F)(F)C(CNS(C)(=O)=O)CN1c1cc(-c2cnc3ccc(C(F)F)nn23)ncn1.C[C@@H]1CN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C[C@H](CNS(C)(=O)=O)O1.

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

The InChIKey is IKVLDXUHNGBMMJ-VSCCLQDUSA-N. The full InChI is InChI=1S/4C19H21F4N7O2S.C18H21F2N7O3S/c2*1-11-6-19(22,23)12(7-27-33(2,31)32)9-29(11)17-5-14(25-10-26-17)15-8-24-16-4-3-13(18(20)21)28-30(15)16;2*1-11-12(8-27-33(2,31)32)19(22,23)5-6-29(11)17-7-14(25-10-26-17)15-9-24-16-4-3-13(18(20)21)28-30(15)16;1-11-8-26(9-12(30-11)6-24-31(2,28)29)17-5-14(22-10-23-17)15-7-21-16-4-3-13(18(19)20)25-27(15)16/h2*3-5,8,10-12,18,27H,6-7,9H2,1-2H3;2*3-4,7,9-12,18,27H,5-6,8H2,1-2H3;3-5,7,10-12,18,24H,6,8-9H2,1-2H3/t;;;;11-,12+/m....1/s1.

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

bis(N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-2-methylpiperidin-3-yl]methyl]methanesulfonamide);bis(N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-6-methylpiperidin-3-yl]methyl]methanesulfonamide);N-[[(2R,6R)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methyl]methanesulfonamide has a molecular weight of 2403.41 g/mol, XLogP of 11.36, 30 rotatable bonds, 5 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for bis(N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-2-methylpiperidin-3-yl]methyl]methanesulfonamide);bis(N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-6-methylpiperidin-3-yl]methyl]methanesulfonamide);N-[[(2R,6R)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 158728794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).