N-[1-[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methyl-4-oxopiperidin-3-yl]ethyl]methanesulfonamide

C20H23F2N7O3S — CID 139359831

IUPACN-[1-[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methyl-4-oxopiperidin-3-yl]ethyl]methanesulfonamide
SMILESCC1CN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)CC(C(C)NS(C)(=O)=O)C1=O
InChIInChI=1S/C20H23F2N7O3S/c1-11-8-28(9-13(19(11)30)12(2)27-33(3,31)32)18-6-15(24-10-25-18)16-7-23-17-5-4-14(20(21)22)26-29(16)17/h4-7,10-13,20,27H,8-9H2,1-3H3
InChIKeyLHBHBHHKANZGFP-UHFFFAOYSA-N
MW479.51 g/mol
LogP1.70
Rot. Bonds6

About N-[1-[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methyl-4-oxopiperidin-3-yl]ethyl]methanesulfonamide

N-[1-[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methyl-4-oxopiperidin-3-yl]ethyl]methanesulfonamide (PubChem CID 139359831) has the molecular formula C20H23F2N7O3S and a molecular weight of 479.51 g/mol. Its IUPAC name is N-[1-[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methyl-4-oxopiperidin-3-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methyl-4-oxopiperidin-3-yl]ethyl]methanesulfonamide
PubChem CID139359831
Molecular FormulaC20H23F2N7O3S
Molecular Weight479.51 g/mol
Exact Mass479.16
IUPAC NameN-[1-[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methyl-4-oxopiperidin-3-yl]ethyl]methanesulfonamide
SMILESCC1CN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)CC(C(C)NS(C)(=O)=O)C1=O
InChIInChI=1S/C20H23F2N7O3S/c1-11-8-28(9-13(19(11)30)12(2)27-33(3,31)32)18-6-15(24-10-25-18)16-7-23-17-5-4-14(20(21)22)26-29(16)17/h4-7,10-13,20,27H,8-9H2,1-3H3
InChIKeyLHBHBHHKANZGFP-UHFFFAOYSA-N
XLogP1.70
TPSA122.45 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.51
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[1-[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methyl-4-oxopiperidin-3-yl]ethyl]methanesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methyl-4-oxopiperidin-3-yl]ethyl]methanesulfonamide?
The IUPAC name of N-[1-[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methyl-4-oxopiperidin-3-yl]ethyl]methanesulfonamide (CID 139359831) is N-[1-[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methyl-4-oxopiperidin-3-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[1-[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methyl-4-oxopiperidin-3-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-[1-[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methyl-4-oxopiperidin-3-yl]ethyl]methanesulfonamide is CC1CN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)CC(C(C)NS(C)(=O)=O)C1=O.
What is the InChIKey of N-[1-[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methyl-4-oxopiperidin-3-yl]ethyl]methanesulfonamide?
The InChIKey is LHBHBHHKANZGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N7O3S/c1-11-8-28(9-13(19(11)30)12(2)27-33(3,31)32)18-6-15(24-10-25-18)16-7-23-17-5-4-14(20(21)22)26-29(16)17/h4-7,10-13,20,27H,8-9H2,1-3H3.
What are the key properties of N-[1-[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methyl-4-oxopiperidin-3-yl]ethyl]methanesulfonamide?
N-[1-[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methyl-4-oxopiperidin-3-yl]ethyl]methanesulfonamide has a molecular weight of 479.51 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methyl-4-oxopiperidin-3-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 139359831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).