N-[1-[4-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]methanesulfonamide

C18H19F3N6O2S — CID 139359419

IUPACN-[1-[4-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCCN(c2cc(-c3cnc4ccc(C(F)(F)F)nn34)ccn2)C1
InChIInChI=1S/C18H19F3N6O2S/c1-30(28,29)25-13-3-2-8-26(11-13)17-9-12(6-7-22-17)14-10-23-16-5-4-15(18(19,20)21)24-27(14)16/h4-7,9-10,13,25H,2-3,8,11H2,1H3
InChIKeyVMKOWQLSHVXFSR-UHFFFAOYSA-N
MW440.45 g/mol
LogP2.33
Rot. Bonds4

About N-[1-[4-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]methanesulfonamide

N-[1-[4-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]methanesulfonamide (PubChem CID 139359419) has the molecular formula C18H19F3N6O2S and a molecular weight of 440.45 g/mol. Its IUPAC name is N-[1-[4-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[4-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]methanesulfonamide
PubChem CID139359419
Molecular FormulaC18H19F3N6O2S
Molecular Weight440.45 g/mol
Exact Mass440.12
IUPAC NameN-[1-[4-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCCN(c2cc(-c3cnc4ccc(C(F)(F)F)nn34)ccn2)C1
InChIInChI=1S/C18H19F3N6O2S/c1-30(28,29)25-13-3-2-8-26(11-13)17-9-12(6-7-22-17)14-10-23-16-5-4-15(18(19,20)21)24-27(14)16/h4-7,9-10,13,25H,2-3,8,11H2,1H3
InChIKeyVMKOWQLSHVXFSR-UHFFFAOYSA-N
XLogP2.33
TPSA92.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.45
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]methanesulfonamide
CID 152594271
N-[[(2S)-4-[4-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]morpholin-2-yl]methyl]methanesulfonamide
CID 139358146
3-[2-[3-(1H-imidazol-5-yl)piperidin-1-yl]-4-pyridinyl]-6-(trifluoromethyl)imidazo[1,2-b]pyridazine
CID 139357677
N-(1-pyrazin-2-ylpiperidin-3-yl)methanesulfonamide
CID 163354597
[(3S)-1-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 139357953
N-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-3-yl]methanesulfonamide
CID 163354863
3-[2-(1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridin-5-yl)-4-pyridinyl]-6-chloroimidazo[1,2-b]pyridazine
CID 139358187
N-[4-[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]methanesulfonamide
CID 71235315
N-[1-(4-methylsulfonylphenyl)piperidin-3-yl]methanesulfonamide
CID 163354197
1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-N-methylpiperidine-3-sulfonamide
CID 139359615
N-[[(3S)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide
CID 97221826
4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyrrolidin-1-ylpyridine
CID 166275105

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]methanesulfonamide?
The IUPAC name of N-[1-[4-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]methanesulfonamide (CID 139359419) is N-[1-[4-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[4-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[1-[4-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]methanesulfonamide is CS(=O)(=O)NC1CCCN(c2cc(-c3cnc4ccc(C(F)(F)F)nn34)ccn2)C1.
What is the InChIKey of N-[1-[4-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]methanesulfonamide?
The InChIKey is VMKOWQLSHVXFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N6O2S/c1-30(28,29)25-13-3-2-8-26(11-13)17-9-12(6-7-22-17)14-10-23-16-5-4-15(18(19,20)21)24-27(14)16/h4-7,9-10,13,25H,2-3,8,11H2,1H3.
What are the key properties of N-[1-[4-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]methanesulfonamide?
N-[1-[4-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]methanesulfonamide has a molecular weight of 440.45 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 139359419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).