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

C19H22F3N7O2S — CID 139343872

IUPACN-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-fluoro-4-methylpiperidin-3-yl]methyl]methanesulfonamide
SMILESCC1(F)CCN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)CC1CNS(C)(=O)=O
InChIInChI=1S/C19H22F3N7O2S/c1-19(22)5-6-28(10-12(19)8-26-32(2,30)31)17-7-14(24-11-25-17)15-9-23-16-4-3-13(18(20)21)27-29(15)16/h3-4,7,9,11-12,18,26H,5-6,8,10H2,1-2H3
InChIKeyLZMKIFUNSKXBNW-UHFFFAOYSA-N
MW469.49 g/mol
LogP2.23
Rot. Bonds6

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

N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-fluoro-4-methylpiperidin-3-yl]methyl]methanesulfonamide (PubChem CID 139343872) has the molecular formula C19H22F3N7O2S and a molecular weight of 469.49 g/mol. Its IUPAC name is N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-fluoro-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-fluoro-4-methylpiperidin-3-yl]methyl]methanesulfonamide
PubChem CID139343872
Molecular FormulaC19H22F3N7O2S
Molecular Weight469.49 g/mol
Exact Mass469.15
IUPAC NameN-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-fluoro-4-methylpiperidin-3-yl]methyl]methanesulfonamide
SMILESCC1(F)CCN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)CC1CNS(C)(=O)=O
InChIInChI=1S/C19H22F3N7O2S/c1-19(22)5-6-28(10-12(19)8-26-32(2,30)31)17-7-14(24-11-25-17)15-9-23-16-4-3-13(18(20)21)27-29(15)16/h3-4,7,9,11-12,18,26H,5-6,8,10H2,1-2H3
InChIKeyLZMKIFUNSKXBNW-UHFFFAOYSA-N
XLogP2.23
TPSA105.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.49
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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-fluoro-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-fluoro-4-methylpiperidin-3-yl]methyl]methanesulfonamide (CID 139343872) is N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-fluoro-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-fluoro-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-fluoro-4-methylpiperidin-3-yl]methyl]methanesulfonamide is CC1(F)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-fluoro-4-methylpiperidin-3-yl]methyl]methanesulfonamide?
The InChIKey is LZMKIFUNSKXBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N7O2S/c1-19(22)5-6-28(10-12(19)8-26-32(2,30)31)17-7-14(24-11-25-17)15-9-23-16-4-3-13(18(20)21)27-29(15)16/h3-4,7,9,11-12,18,26H,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-fluoro-4-methylpiperidin-3-yl]methyl]methanesulfonamide?
N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-fluoro-4-methylpiperidin-3-yl]methyl]methanesulfonamide has a molecular weight of 469.49 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 8 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-fluoro-4-methylpiperidin-3-yl]methyl]methanesulfonamide is sourced from PubChem (CID 139343872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).