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

C19H23F2N7O3S — CID 139343908

IUPACN-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-hydroxy-4-methylpiperidin-3-yl]methyl]methanesulfonamide
SMILESCC1(O)CCN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)CC1CNS(C)(=O)=O
InChIInChI=1S/C19H23F2N7O3S/c1-19(29)5-6-27(10-12(19)8-25-32(2,30)31)17-7-14(23-11-24-17)15-9-22-16-4-3-13(18(20)21)26-28(15)16/h3-4,7,9,11-12,18,25,29H,5-6,8,10H2,1-2H3
InChIKeyAEDCYWSCUYNUQY-UHFFFAOYSA-N
MW467.50 g/mol
LogP1.25
Rot. Bonds6

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

N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-hydroxy-4-methylpiperidin-3-yl]methyl]methanesulfonamide (PubChem CID 139343908) has the molecular formula C19H23F2N7O3S and a molecular weight of 467.50 g/mol. Its IUPAC name is N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-hydroxy-4-methylpiperidin-3-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-hydroxy-4-methylpiperidin-3-yl]methyl]methanesulfonamide
PubChem CID139343908
Molecular FormulaC19H23F2N7O3S
Molecular Weight467.50 g/mol
Exact Mass467.16
IUPAC NameN-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-hydroxy-4-methylpiperidin-3-yl]methyl]methanesulfonamide
SMILESCC1(O)CCN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)CC1CNS(C)(=O)=O
InChIInChI=1S/C19H23F2N7O3S/c1-19(29)5-6-27(10-12(19)8-25-32(2,30)31)17-7-14(23-11-24-17)15-9-22-16-4-3-13(18(20)21)26-28(15)16/h3-4,7,9,11-12,18,25,29H,5-6,8,10H2,1-2H3
InChIKeyAEDCYWSCUYNUQY-UHFFFAOYSA-N
XLogP1.25
TPSA125.61 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.50
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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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-4-methylpiperidin-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-4-methylpiperidin-3-yl]methyl]methanesulfonamide (CID 139343908) is N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-hydroxy-4-methylpiperidin-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-4-methylpiperidin-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-4-methylpiperidin-3-yl]methyl]methanesulfonamide is CC1(O)CCN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)CC1CNS(C)(=O)=O.
What is the InChIKey of N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-hydroxy-4-methylpiperidin-3-yl]methyl]methanesulfonamide?
The InChIKey is AEDCYWSCUYNUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2N7O3S/c1-19(29)5-6-27(10-12(19)8-25-32(2,30)31)17-7-14(23-11-24-17)15-9-22-16-4-3-13(18(20)21)26-28(15)16/h3-4,7,9,11-12,18,25,29H,5-6,8,10H2,1-2H3.
What are the key properties of N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-hydroxy-4-methylpiperidin-3-yl]methyl]methanesulfonamide?
N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-hydroxy-4-methylpiperidin-3-yl]methyl]methanesulfonamide has a molecular weight of 467.50 g/mol, XLogP of 1.25, 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-4-methylpiperidin-3-yl]methyl]methanesulfonamide is sourced from PubChem (CID 139343908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).