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

C17H13F6N5O3S — CID 142621010

IUPACN-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-2,2,2-trifluoroacetamide
SMILESCCS(=O)(=O)c1cc(NC(=O)C(F)(F)F)cnc1-c1nc2cc(C(F)(F)F)ncc2n1C
InChIInChI=1S/C17H13F6N5O3S/c1-3-32(30,31)11-4-8(26-15(29)17(21,22)23)6-25-13(11)14-27-9-5-12(16(18,19)20)24-7-10(9)28(14)2/h4-7H,3H2,1-2H3,(H,26,29)
InChIKeyIGDDGJGLIJAOBJ-UHFFFAOYSA-N
MW481.38 g/mol
LogP3.34
Rot. Bonds4

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

N-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-2,2,2-trifluoroacetamide (PubChem CID 142621010) has the molecular formula C17H13F6N5O3S and a molecular weight of 481.38 g/mol. Its IUPAC name is N-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-2,2,2-trifluoroacetamide
PubChem CID142621010
Molecular FormulaC17H13F6N5O3S
Molecular Weight481.38 g/mol
Exact Mass481.06
IUPAC NameN-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-2,2,2-trifluoroacetamide
SMILESCCS(=O)(=O)c1cc(NC(=O)C(F)(F)F)cnc1-c1nc2cc(C(F)(F)F)ncc2n1C
InChIInChI=1S/C17H13F6N5O3S/c1-3-32(30,31)11-4-8(26-15(29)17(21,22)23)6-25-13(11)14-27-9-5-12(16(18,19)20)24-7-10(9)28(14)2/h4-7H,3H2,1-2H3,(H,26,29)
InChIKeyIGDDGJGLIJAOBJ-UHFFFAOYSA-N
XLogP3.34
TPSA106.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.38
LogP ≤ 53.34
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-c]pyridin-2-yl]-3-pyridinyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-2,2,2-trifluoroacetamide (CID 142621010) is N-[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-[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-[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)cnc1-c1nc2cc(C(F)(F)F)ncc2n1C.
What is the InChIKey of N-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-2,2,2-trifluoroacetamide?
The InChIKey is IGDDGJGLIJAOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F6N5O3S/c1-3-32(30,31)11-4-8(26-15(29)17(21,22)23)6-25-13(11)14-27-9-5-12(16(18,19)20)24-7-10(9)28(14)2/h4-7H,3H2,1-2H3,(H,26,29).
What are the key properties of N-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-2,2,2-trifluoroacetamide?
N-[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 481.38 g/mol, XLogP of 3.34, 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-c]pyridin-2-yl]-3-pyridinyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 142621010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).