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

C20H25F2N7O3S — CID 139359450

About N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-hydroxy-2,4-dimethylpiperidin-3-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 (PubChem CID 139359450) has the molecular formula C20H25F2N7O3S and a molecular weight of 481.53 g/mol. Its IUPAC name is N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-hydroxy-2,4-dimethylpiperidin-3-yl]methyl]methanesulfonamide.

Molecular Properties

• Compound Name: N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-hydroxy-2,4-dimethylpiperidin-3-yl]methyl]methanesulfonamide
• PubChem CID: 139359450
• Molecular Formula: C20H25F2N7O3S
• Molecular Weight: 481.53 g/mol
• Exact Mass: 481.17
• IUPAC Name: N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-hydroxy-2,4-dimethylpiperidin-3-yl]methyl]methanesulfonamide
• SMILES: CC1C(CNS(C)(=O)=O)C(C)(O)CCN1c1cc(-c2cnc3ccc(C(F)F)nn23)ncn1
• InChI: InChI=1S/C20H25F2N7O3S/c1-12-13(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/h4-5,8,10-13,19,26,30H,6-7,9H2,1-3H3
• InChIKey: JUUIDOJWTUVZEQ-UHFFFAOYSA-N
• XLogP: 1.64
• TPSA: 125.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.53
LogP ≤ 5	1.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-hydroxy-2,4-dimethylpiperidin-3-yl]methyl]methanesulfonamide (CID 139359450) is N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-hydroxy-2,4-dimethylpiperidin-3-yl]methyl]methanesulfonamide.

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

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

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

The InChIKey is JUUIDOJWTUVZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F2N7O3S/c1-12-13(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/h4-5,8,10-13,19,26,30H,6-7,9H2,1-3H3.

What are the key properties of N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-hydroxy-2,4-dimethylpiperidin-3-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 has a molecular weight of 481.53 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-hydroxy-2,4-dimethylpiperidin-3-yl]methyl]methanesulfonamide is sourced from PubChem (CID 139359450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).