5-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]-3-(trifluoromethyl)pyridin-2-amine

C19H14F3N5O2S — CID 25122276

IUPAC5-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]-3-(trifluoromethyl)pyridin-2-amine
SMILESCS(=O)(=O)c1ccc(-c2cnc3ccc(-c4cnc(N)c(C(F)(F)F)c4)nn23)cc1
InChIInChI=1S/C19H14F3N5O2S/c1-30(28,29)13-4-2-11(3-5-13)16-10-24-17-7-6-15(26-27(16)17)12-8-14(19(20,21)22)18(23)25-9-12/h2-10H,1H3,(H2,23,25)
InChIKeyZLKFSRCMNFLQOV-UHFFFAOYSA-N
MW433.42 g/mol
LogP3.46
Rot. Bonds3

About 5-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]-3-(trifluoromethyl)pyridin-2-amine

5-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 25122276) has the molecular formula C19H14F3N5O2S and a molecular weight of 433.42 g/mol. Its IUPAC name is 5-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]-3-(trifluoromethyl)pyridin-2-amine
PubChem CID25122276
Molecular FormulaC19H14F3N5O2S
Molecular Weight433.42 g/mol
Exact Mass433.08
IUPAC Name5-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]-3-(trifluoromethyl)pyridin-2-amine
SMILESCS(=O)(=O)c1ccc(-c2cnc3ccc(-c4cnc(N)c(C(F)(F)F)c4)nn23)cc1
InChIInChI=1S/C19H14F3N5O2S/c1-30(28,29)13-4-2-11(3-5-13)16-10-24-17-7-6-15(26-27(16)17)12-8-14(19(20,21)22)18(23)25-9-12/h2-10H,1H3,(H2,23,25)
InChIKeyZLKFSRCMNFLQOV-UHFFFAOYSA-N
XLogP3.46
TPSA103.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.42
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]-3-(trifluoromethyl)pyridin-2-amine (CID 25122276) is 5-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]-3-(trifluoromethyl)pyridin-2-amine is CS(=O)(=O)c1ccc(-c2cnc3ccc(-c4cnc(N)c(C(F)(F)F)c4)nn23)cc1.
What is the InChIKey of 5-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is ZLKFSRCMNFLQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N5O2S/c1-30(28,29)13-4-2-11(3-5-13)16-10-24-17-7-6-15(26-27(16)17)12-8-14(19(20,21)22)18(23)25-9-12/h2-10H,1H3,(H2,23,25).
What are the key properties of 5-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]-3-(trifluoromethyl)pyridin-2-amine?
5-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 433.42 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 25122276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).