N-[3-[5-(trifluoromethyl)thiophen-2-yl]imidazo[1,2-b]pyridazin-6-yl]piperidine-4-sulfonamide

C16H16F3N5O2S2 — CID 178079402

IUPACN-[3-[5-(trifluoromethyl)thiophen-2-yl]imidazo[1,2-b]pyridazin-6-yl]piperidine-4-sulfonamide
SMILESO=S(=O)(Nc1ccc2ncc(-c3ccc(C(F)(F)F)s3)n2n1)C1CCNCC1
InChIInChI=1S/C16H16F3N5O2S2/c17-16(18,19)13-2-1-12(27-13)11-9-21-15-4-3-14(22-24(11)15)23-28(25,26)10-5-7-20-8-6-10/h1-4,9-10,20H,5-8H2,(H,22,23)
InChIKeyFPADSLVMFWHYQP-UHFFFAOYSA-N
MW431.47 g/mol
LogP2.97
Rot. Bonds4

About N-[3-[5-(trifluoromethyl)thiophen-2-yl]imidazo[1,2-b]pyridazin-6-yl]piperidine-4-sulfonamide

N-[3-[5-(trifluoromethyl)thiophen-2-yl]imidazo[1,2-b]pyridazin-6-yl]piperidine-4-sulfonamide (PubChem CID 178079402) has the molecular formula C16H16F3N5O2S2 and a molecular weight of 431.47 g/mol. Its IUPAC name is N-[3-[5-(trifluoromethyl)thiophen-2-yl]imidazo[1,2-b]pyridazin-6-yl]piperidine-4-sulfonamide.

Molecular Properties

Compound NameN-[3-[5-(trifluoromethyl)thiophen-2-yl]imidazo[1,2-b]pyridazin-6-yl]piperidine-4-sulfonamide
PubChem CID178079402
Molecular FormulaC16H16F3N5O2S2
Molecular Weight431.47 g/mol
Exact Mass431.07
IUPAC NameN-[3-[5-(trifluoromethyl)thiophen-2-yl]imidazo[1,2-b]pyridazin-6-yl]piperidine-4-sulfonamide
SMILESO=S(=O)(Nc1ccc2ncc(-c3ccc(C(F)(F)F)s3)n2n1)C1CCNCC1
InChIInChI=1S/C16H16F3N5O2S2/c17-16(18,19)13-2-1-12(27-13)11-9-21-15-4-3-14(22-24(11)15)23-28(25,26)10-5-7-20-8-6-10/h1-4,9-10,20H,5-8H2,(H,22,23)
InChIKeyFPADSLVMFWHYQP-UHFFFAOYSA-N
XLogP2.97
TPSA88.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.47
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-methyl-N-[3-[5-(trifluoromethyl)thiophen-2-yl]imidazo[1,2-b]pyridazin-6-yl]piperidine-4-sulfonamide
CID 178079392
2-hydroxy-1-[4-[[3-[5-(trifluoromethyl)thiophen-2-yl]imidazo[1,2-b]pyridazin-6-yl]amino]piperidin-1-yl]ethanone
CID 178079375
5-[[3-[5-(trifluoromethyl)thiophen-2-yl]imidazo[1,2-b]pyridazin-6-yl]amino]bicyclo[3.3.1]nonan-2-ol
CID 167228273
2-methyl-1-[4-[[3-[5-(trifluoromethyl)thiophen-2-yl]imidazo[1,2-b]pyridazin-6-yl]amino]pyrazol-1-yl]propan-2-ol
CID 178079413
N-[1-(3-fluoropiperidin-4-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-amine
CID 178035043
N-fluoro-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-amine
CID 134360127
1-[5-[6-[(4-hydroxycyclohexyl)amino]imidazo[1,2-b]pyridazin-3-yl]thiophen-2-yl]ethanone
CID 24996722
5-[6-[3-(2-oxopyrrolidin-1-yl)propylamino]imidazo[1,2-b]pyridazin-3-yl]thiophene-2-carboxylic acid
CID 86696364
N-(oxan-3-yl)-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-amine
CID 167228039
N-[4-[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]methanesulfonamide
CID 71235315
N-pyrrolidin-3-yl-6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine
CID 164537288
N-piperidin-4-yl-3-[2-(pyridin-2-ylamino)pyrimidin-5-yl]imidazo[1,2-b]pyridazin-6-amine
CID 66550306

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(trifluoromethyl)thiophen-2-yl]imidazo[1,2-b]pyridazin-6-yl]piperidine-4-sulfonamide?
The IUPAC name of N-[3-[5-(trifluoromethyl)thiophen-2-yl]imidazo[1,2-b]pyridazin-6-yl]piperidine-4-sulfonamide (CID 178079402) is N-[3-[5-(trifluoromethyl)thiophen-2-yl]imidazo[1,2-b]pyridazin-6-yl]piperidine-4-sulfonamide.
What is the SMILES notation for N-[3-[5-(trifluoromethyl)thiophen-2-yl]imidazo[1,2-b]pyridazin-6-yl]piperidine-4-sulfonamide?
The canonical SMILES for N-[3-[5-(trifluoromethyl)thiophen-2-yl]imidazo[1,2-b]pyridazin-6-yl]piperidine-4-sulfonamide is O=S(=O)(Nc1ccc2ncc(-c3ccc(C(F)(F)F)s3)n2n1)C1CCNCC1.
What is the InChIKey of N-[3-[5-(trifluoromethyl)thiophen-2-yl]imidazo[1,2-b]pyridazin-6-yl]piperidine-4-sulfonamide?
The InChIKey is FPADSLVMFWHYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N5O2S2/c17-16(18,19)13-2-1-12(27-13)11-9-21-15-4-3-14(22-24(11)15)23-28(25,26)10-5-7-20-8-6-10/h1-4,9-10,20H,5-8H2,(H,22,23).
What are the key properties of N-[3-[5-(trifluoromethyl)thiophen-2-yl]imidazo[1,2-b]pyridazin-6-yl]piperidine-4-sulfonamide?
N-[3-[5-(trifluoromethyl)thiophen-2-yl]imidazo[1,2-b]pyridazin-6-yl]piperidine-4-sulfonamide has a molecular weight of 431.47 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(trifluoromethyl)thiophen-2-yl]imidazo[1,2-b]pyridazin-6-yl]piperidine-4-sulfonamide is sourced from PubChem (CID 178079402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).