N-[2-amino-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-2,2,2-trifluoroacetamide

C17H14F6N6O3S — CID 121405260

About N-[2-amino-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-2,2,2-trifluoroacetamide

N-[2-amino-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-2,2,2-trifluoroacetamide (PubChem CID 121405260) has the molecular formula C17H14F6N6O3S and a molecular weight of 496.39 g/mol. Its IUPAC name is N-[2-amino-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-2,2,2-trifluoroacetamide.

Molecular Properties

• Compound Name: N-[2-amino-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-2,2,2-trifluoroacetamide
• PubChem CID: 121405260
• Molecular Formula: C17H14F6N6O3S
• Molecular Weight: 496.39 g/mol
• Exact Mass: 496.08
• IUPAC Name: N-[2-amino-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-2,2,2-trifluoroacetamide
• SMILES: CCS(=O)(=O)c1cc(NC(=O)C(F)(F)F)c(N)nc1-c1nc2cc(C(F)(F)F)ncc2n1C
• InChI: InChI=1S/C17H14F6N6O3S/c1-3-33(31,32)10-4-8(27-15(30)17(21,22)23)13(24)28-12(10)14-26-7-5-11(16(18,19)20)25-6-9(7)29(14)2/h4-6H,3H2,1-2H3,(H2,24,28)(H,27,30)
• InChIKey: ZPYPHQFYPHSMFK-UHFFFAOYSA-N
• XLogP: 2.93
• TPSA: 132.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	496.39
LogP ≤ 5	2.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-2,2,2-trifluoroacetamide?

The IUPAC name of N-[2-amino-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-2,2,2-trifluoroacetamide (CID 121405260) is N-[2-amino-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-2,2,2-trifluoroacetamide.

What is the SMILES notation for N-[2-amino-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-2,2,2-trifluoroacetamide?

The canonical SMILES for N-[2-amino-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-2,2,2-trifluoroacetamide is CCS(=O)(=O)c1cc(NC(=O)C(F)(F)F)c(N)nc1-c1nc2cc(C(F)(F)F)ncc2n1C.

What is the InChIKey of N-[2-amino-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-2,2,2-trifluoroacetamide?

The InChIKey is ZPYPHQFYPHSMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F6N6O3S/c1-3-33(31,32)10-4-8(27-15(30)17(21,22)23)13(24)28-12(10)14-26-7-5-11(16(18,19)20)25-6-9(7)29(14)2/h4-6H,3H2,1-2H3,(H2,24,28)(H,27,30).

What are the key properties of N-[2-amino-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-2,2,2-trifluoroacetamide?

N-[2-amino-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-2,2,2-trifluoroacetamide has a molecular weight of 496.39 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-amino-5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 121405260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).