N-[[1-[2-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-4-pyridinyl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide

C20H22F4N6O2S — CID 139343741

About N-[[1-[2-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-4-pyridinyl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide

N-[[1-[2-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-4-pyridinyl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide (PubChem CID 139343741) has the molecular formula C20H22F4N6O2S and a molecular weight of 486.50 g/mol. Its IUPAC name is N-[[1-[2-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-4-pyridinyl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide.

Molecular Properties

• Compound Name: N-[[1-[2-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-4-pyridinyl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide
• PubChem CID: 139343741
• Molecular Formula: C20H22F4N6O2S
• Molecular Weight: 486.50 g/mol
• Exact Mass: 486.15
• IUPAC Name: N-[[1-[2-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-4-pyridinyl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide
• SMILES: CC1CN(c2ccnc(-c3cnc4ccc(C(F)F)nn34)c2)CC(CNS(C)(=O)=O)C1(F)F
• InChI: InChI=1S/C20H22F4N6O2S/c1-12-10-29(11-13(20(12,23)24)8-27-33(2,31)32)14-5-6-25-16(7-14)17-9-26-18-4-3-15(19(21)22)28-30(17)18/h3-7,9,12-13,19,27H,8,10-11H2,1-2H3
• InChIKey: ZIQGQUCJKSEOQE-UHFFFAOYSA-N
• XLogP: 2.99
• TPSA: 92.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	486.50
LogP ≤ 5	2.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-4-pyridinyl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide?

The IUPAC name of N-[[1-[2-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-4-pyridinyl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide (CID 139343741) is N-[[1-[2-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-4-pyridinyl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide.

What is the SMILES notation for N-[[1-[2-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-4-pyridinyl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide?

The canonical SMILES for N-[[1-[2-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-4-pyridinyl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide is CC1CN(c2ccnc(-c3cnc4ccc(C(F)F)nn34)c2)CC(CNS(C)(=O)=O)C1(F)F.

What is the InChIKey of N-[[1-[2-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-4-pyridinyl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide?

The InChIKey is ZIQGQUCJKSEOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F4N6O2S/c1-12-10-29(11-13(20(12,23)24)8-27-33(2,31)32)14-5-6-25-16(7-14)17-9-26-18-4-3-15(19(21)22)28-30(17)18/h3-7,9,12-13,19,27H,8,10-11H2,1-2H3.

What are the key properties of N-[[1-[2-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-4-pyridinyl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide?

N-[[1-[2-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-4-pyridinyl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide has a molecular weight of 486.50 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[1-[2-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-4-pyridinyl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide is sourced from PubChem (CID 139343741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).