N-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]acetamide

C17H16F3N5O3S — CID 126574544

IUPACN-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]acetamide
SMILESCCS(=O)(=O)c1ccc(NC(C)=O)nc1-c1nc2cc(C(F)(F)F)cnc2n1C
InChIInChI=1S/C17H16F3N5O3S/c1-4-29(27,28)12-5-6-13(22-9(2)26)24-14(12)16-23-11-7-10(17(18,19)20)8-21-15(11)25(16)3/h5-8H,4H2,1-3H3,(H,22,24,26)
InChIKeyUBNOPCFMOLPTKT-UHFFFAOYSA-N
MW427.41 g/mol
LogP2.80
Rot. Bonds4

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

N-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]acetamide (PubChem CID 126574544) has the molecular formula C17H16F3N5O3S and a molecular weight of 427.41 g/mol. Its IUPAC name is N-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]acetamide
PubChem CID126574544
Molecular FormulaC17H16F3N5O3S
Molecular Weight427.41 g/mol
Exact Mass427.09
IUPAC NameN-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]acetamide
SMILESCCS(=O)(=O)c1ccc(NC(C)=O)nc1-c1nc2cc(C(F)(F)F)cnc2n1C
InChIInChI=1S/C17H16F3N5O3S/c1-4-29(27,28)12-5-6-13(22-9(2)26)24-14(12)16-23-11-7-10(17(18,19)20)8-21-15(11)25(16)3/h5-8H,4H2,1-3H3,(H,22,24,26)
InChIKeyUBNOPCFMOLPTKT-UHFFFAOYSA-N
XLogP2.80
TPSA106.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.41
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]acetamide?
The IUPAC name of N-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]acetamide (CID 126574544) is N-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]acetamide is CCS(=O)(=O)c1ccc(NC(C)=O)nc1-c1nc2cc(C(F)(F)F)cnc2n1C.
What is the InChIKey of N-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]acetamide?
The InChIKey is UBNOPCFMOLPTKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N5O3S/c1-4-29(27,28)12-5-6-13(22-9(2)26)24-14(12)16-23-11-7-10(17(18,19)20)8-21-15(11)25(16)3/h5-8H,4H2,1-3H3,(H,22,24,26).
What are the key properties of N-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]acetamide?
N-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]acetamide has a molecular weight of 427.41 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 126574544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).