5-ethylsulfonyl-N-methyl-6-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]pyridine-2-carboxamide

C16H15F3N6O3S — CID 126574490

IUPAC5-ethylsulfonyl-N-methyl-6-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]pyridine-2-carboxamide
SMILESCCS(=O)(=O)c1ccc(C(=O)NC)nc1-c1nc2cc(C(F)(F)F)nnc2n1C
InChIInChI=1S/C16H15F3N6O3S/c1-4-29(27,28)10-6-5-8(15(26)20-2)21-12(10)14-22-9-7-11(16(17,18)19)23-24-13(9)25(14)3/h5-7H,4H2,1-3H3,(H,20,26)
InChIKeyPXZKPVGOIFIUBF-UHFFFAOYSA-N
MW428.40 g/mol
LogP1.60
Rot. Bonds4

About 5-ethylsulfonyl-N-methyl-6-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]pyridine-2-carboxamide

5-ethylsulfonyl-N-methyl-6-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]pyridine-2-carboxamide (PubChem CID 126574490) has the molecular formula C16H15F3N6O3S and a molecular weight of 428.40 g/mol. Its IUPAC name is 5-ethylsulfonyl-N-methyl-6-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-ethylsulfonyl-N-methyl-6-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]pyridine-2-carboxamide
PubChem CID126574490
Molecular FormulaC16H15F3N6O3S
Molecular Weight428.40 g/mol
Exact Mass428.09
IUPAC Name5-ethylsulfonyl-N-methyl-6-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]pyridine-2-carboxamide
SMILESCCS(=O)(=O)c1ccc(C(=O)NC)nc1-c1nc2cc(C(F)(F)F)nnc2n1C
InChIInChI=1S/C16H15F3N6O3S/c1-4-29(27,28)10-6-5-8(15(26)20-2)21-12(10)14-22-9-7-11(16(17,18)19)23-24-13(9)25(14)3/h5-7H,4H2,1-3H3,(H,20,26)
InChIKeyPXZKPVGOIFIUBF-UHFFFAOYSA-N
XLogP1.60
TPSA119.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.40
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfonyl-N-methyl-6-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]pyridine-2-carboxamide?
The IUPAC name of 5-ethylsulfonyl-N-methyl-6-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]pyridine-2-carboxamide (CID 126574490) is 5-ethylsulfonyl-N-methyl-6-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]pyridine-2-carboxamide.
What is the SMILES notation for 5-ethylsulfonyl-N-methyl-6-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]pyridine-2-carboxamide?
The canonical SMILES for 5-ethylsulfonyl-N-methyl-6-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]pyridine-2-carboxamide is CCS(=O)(=O)c1ccc(C(=O)NC)nc1-c1nc2cc(C(F)(F)F)nnc2n1C.
What is the InChIKey of 5-ethylsulfonyl-N-methyl-6-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]pyridine-2-carboxamide?
The InChIKey is PXZKPVGOIFIUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N6O3S/c1-4-29(27,28)10-6-5-8(15(26)20-2)21-12(10)14-22-9-7-11(16(17,18)19)23-24-13(9)25(14)3/h5-7H,4H2,1-3H3,(H,20,26).
What are the key properties of 5-ethylsulfonyl-N-methyl-6-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]pyridine-2-carboxamide?
5-ethylsulfonyl-N-methyl-6-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]pyridine-2-carboxamide has a molecular weight of 428.40 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfonyl-N-methyl-6-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]pyridine-2-carboxamide is sourced from PubChem (CID 126574490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).