N-[5-ethylsulfonyl-6-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]-3-pyridinyl]-3,3,3-trifluoro-N-methylpropanamide

C18H16F6N6O3S — CID 155577375

About N-[5-ethylsulfonyl-6-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]-3-pyridinyl]-3,3,3-trifluoro-N-methylpropanamide

N-[5-ethylsulfonyl-6-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]-3-pyridinyl]-3,3,3-trifluoro-N-methylpropanamide (PubChem CID 155577375) has the molecular formula C18H16F6N6O3S and a molecular weight of 510.42 g/mol. Its IUPAC name is N-[5-ethylsulfonyl-6-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]-3-pyridinyl]-3,3,3-trifluoro-N-methylpropanamide.

Molecular Properties

• Compound Name: N-[5-ethylsulfonyl-6-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]-3-pyridinyl]-3,3,3-trifluoro-N-methylpropanamide
• PubChem CID: 155577375
• Molecular Formula: C18H16F6N6O3S
• Molecular Weight: 510.42 g/mol
• Exact Mass: 510.09
• IUPAC Name: N-[5-ethylsulfonyl-6-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]-3-pyridinyl]-3,3,3-trifluoro-N-methylpropanamide
• SMILES: CCS(=O)(=O)c1cc(N(C)C(=O)CC(F)(F)F)cnc1-c1nc2cc(C(F)(F)F)nnc2n1C
• InChI: InChI=1S/C18H16F6N6O3S/c1-4-34(32,33)11-5-9(29(2)13(31)7-17(19,20)21)8-25-14(11)16-26-10-6-12(18(22,23)24)27-28-15(10)30(16)3/h5-6,8H,4,7H2,1-3H3
• InChIKey: FAYNVQSXJNYCIL-UHFFFAOYSA-N
• XLogP: 3.15
• TPSA: 110.94 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.42
LogP ≤ 5	3.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[5-ethylsulfonyl-6-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]-3-pyridinyl]-3,3,3-trifluoro-N-methylpropanamide?

The IUPAC name of N-[5-ethylsulfonyl-6-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]-3-pyridinyl]-3,3,3-trifluoro-N-methylpropanamide (CID 155577375) is N-[5-ethylsulfonyl-6-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]-3-pyridinyl]-3,3,3-trifluoro-N-methylpropanamide.

What is the SMILES notation for N-[5-ethylsulfonyl-6-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]-3-pyridinyl]-3,3,3-trifluoro-N-methylpropanamide?

The canonical SMILES for N-[5-ethylsulfonyl-6-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]-3-pyridinyl]-3,3,3-trifluoro-N-methylpropanamide is CCS(=O)(=O)c1cc(N(C)C(=O)CC(F)(F)F)cnc1-c1nc2cc(C(F)(F)F)nnc2n1C.

What is the InChIKey of N-[5-ethylsulfonyl-6-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]-3-pyridinyl]-3,3,3-trifluoro-N-methylpropanamide?

The InChIKey is FAYNVQSXJNYCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F6N6O3S/c1-4-34(32,33)11-5-9(29(2)13(31)7-17(19,20)21)8-25-14(11)16-26-10-6-12(18(22,23)24)27-28-15(10)30(16)3/h5-6,8H,4,7H2,1-3H3.

What are the key properties of N-[5-ethylsulfonyl-6-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]-3-pyridinyl]-3,3,3-trifluoro-N-methylpropanamide?

N-[5-ethylsulfonyl-6-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]-3-pyridinyl]-3,3,3-trifluoro-N-methylpropanamide has a molecular weight of 510.42 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-ethylsulfonyl-6-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]-3-pyridinyl]-3,3,3-trifluoro-N-methylpropanamide is sourced from PubChem (CID 155577375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).