4-[[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-3-yl]methyl]benzenesulfonamide

C19H15F3N6O2S — CID 91297494

IUPAC4-[[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-3-yl]methyl]benzenesulfonamide
SMILESNc1ncc(-c2ccc3ncc(Cc4ccc(S(N)(=O)=O)cc4)n3n2)cc1C(F)(F)F
InChIInChI=1S/C19H15F3N6O2S/c20-19(21,22)15-8-12(9-26-18(15)23)16-5-6-17-25-10-13(28(17)27-16)7-11-1-3-14(4-2-11)31(24,29)30/h1-6,8-10H,7H2,(H2,23,26)(H2,24,29,30)
InChIKeyUVDJZRGAAXTCOQ-UHFFFAOYSA-N
MW448.43 g/mol
LogP2.63
Rot. Bonds4

About 4-[[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-3-yl]methyl]benzenesulfonamide

4-[[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-3-yl]methyl]benzenesulfonamide (PubChem CID 91297494) has the molecular formula C19H15F3N6O2S and a molecular weight of 448.43 g/mol. Its IUPAC name is 4-[[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-3-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-3-yl]methyl]benzenesulfonamide
PubChem CID91297494
Molecular FormulaC19H15F3N6O2S
Molecular Weight448.43 g/mol
Exact Mass448.09
IUPAC Name4-[[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-3-yl]methyl]benzenesulfonamide
SMILESNc1ncc(-c2ccc3ncc(Cc4ccc(S(N)(=O)=O)cc4)n3n2)cc1C(F)(F)F
InChIInChI=1S/C19H15F3N6O2S/c20-19(21,22)15-8-12(9-26-18(15)23)16-5-6-17-25-10-13(28(17)27-16)7-11-1-3-14(4-2-11)31(24,29)30/h1-6,8-10H,7H2,(H2,23,26)(H2,24,29,30)
InChIKeyUVDJZRGAAXTCOQ-UHFFFAOYSA-N
XLogP2.63
TPSA129.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.43
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-3-yl]methyl]benzenesulfonamide with MolForge

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Related Compounds

5-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 25122276
methanesulfonate;5-[3-[4-(pyridin-1-ium-1-ylmethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 87536726
5-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]-1-ethylpyridin-2-one
CID 91801791
[4-(2-amino-2-methylpropyl)piperazin-1-yl]-[4-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-3-yl]phenyl]methanone
CID 90826255
5-[3-[4-(3-pyridin-4-ylpropoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 59613243
5-[3-[4-(3-iminopropoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 162585340
6-[(6-phenylimidazo[1,2-b]pyridazin-3-yl)methyl]quinazolin-2-amine
CID 67967062
5-[6-[4-(oxetan-3-ylmethoxy)phenyl]imidazo[1,2-b]pyridazin-3-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 90977828
3-[[4-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]phenoxy]methyl]oxetane-3-carboxamide
CID 68673832
5-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 144866117
1-[3-[4-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-6-yl]phenoxy]propyl]pyrrolidin-2-one
CID 25121907
N-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-2-yl]-2-(methylamino)acetamide
CID 59252003

Frequently Asked Questions

What is the IUPAC name of 4-[[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-3-yl]methyl]benzenesulfonamide?
The IUPAC name of 4-[[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-3-yl]methyl]benzenesulfonamide (CID 91297494) is 4-[[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-3-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-[[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-3-yl]methyl]benzenesulfonamide?
The canonical SMILES for 4-[[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-3-yl]methyl]benzenesulfonamide is Nc1ncc(-c2ccc3ncc(Cc4ccc(S(N)(=O)=O)cc4)n3n2)cc1C(F)(F)F.
What is the InChIKey of 4-[[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-3-yl]methyl]benzenesulfonamide?
The InChIKey is UVDJZRGAAXTCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N6O2S/c20-19(21,22)15-8-12(9-26-18(15)23)16-5-6-17-25-10-13(28(17)27-16)7-11-1-3-14(4-2-11)31(24,29)30/h1-6,8-10H,7H2,(H2,23,26)(H2,24,29,30).
What are the key properties of 4-[[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-3-yl]methyl]benzenesulfonamide?
4-[[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-3-yl]methyl]benzenesulfonamide has a molecular weight of 448.43 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]imidazo[1,2-b]pyridazin-3-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 91297494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).