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

C17H16F3N5O3S — CID 122485676

IUPAC5-ethylsulfonyl-N-methyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridine-2-carboxamide
SMILESCCS(=O)(=O)c1ccc(C(=O)NC)nc1-c1nc2cc(C(F)(F)F)ncc2n1C
InChIInChI=1S/C17H16F3N5O3S/c1-4-29(27,28)12-6-5-9(16(26)21-2)23-14(12)15-24-10-7-13(17(18,19)20)22-8-11(10)25(15)3/h5-8H,4H2,1-3H3,(H,21,26)
InChIKeyFMLUXZWRCMETGG-UHFFFAOYSA-N
MW427.41 g/mol
LogP2.20
Rot. Bonds4

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

5-ethylsulfonyl-N-methyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridine-2-carboxamide (PubChem CID 122485676) has the molecular formula C17H16F3N5O3S and a molecular weight of 427.41 g/mol. Its IUPAC name is 5-ethylsulfonyl-N-methyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-ethylsulfonyl-N-methyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridine-2-carboxamide
PubChem CID122485676
Molecular FormulaC17H16F3N5O3S
Molecular Weight427.41 g/mol
Exact Mass427.09
IUPAC Name5-ethylsulfonyl-N-methyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridine-2-carboxamide
SMILESCCS(=O)(=O)c1ccc(C(=O)NC)nc1-c1nc2cc(C(F)(F)F)ncc2n1C
InChIInChI=1S/C17H16F3N5O3S/c1-4-29(27,28)12-6-5-9(16(26)21-2)23-14(12)15-24-10-7-13(17(18,19)20)22-8-11(10)25(15)3/h5-8H,4H2,1-3H3,(H,21,26)
InChIKeyFMLUXZWRCMETGG-UHFFFAOYSA-N
XLogP2.20
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 ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1S)-1-(3-fluorophenyl)-3-[(1S,5R)-3-(2-methylimidazo[4,5-c]pyridin-3-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-4-methylsulfonylbenzamide
CID 52940645
N-[[5-[5-(trifluoromethyl)pyridin-3-yl]sulfonylpyridin-2-yl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 71726744
N-[[5-(benzenesulfonyl)pyrimidin-2-yl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 71728055
N-[[5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]sulfinylpyridin-2-yl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 118160934
N-[[5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]sulfonylpyridin-2-yl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
CID 118160945
N-[[5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]sulfonylpyridin-2-yl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 118160948
N-[[5-[6-(trifluoromethyl)pyridin-3-yl]sulfonylpyridin-2-yl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 118193541
N-(4-(ethylsulfonyl)benzyl)-1-((1-(5-fluoropyrimidin-2-yl)piperidin-4-
CID 130277873
[2-[(5-Fluoro-2-pyridinyl)methylamino]thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 137538976
Pyrrolidin-1-yl-[2-[[6-(trifluoromethyl)pyridin-3-yl]methylamino]thieno[3,2-d]pyrimidin-4-yl]methanone
CID 137539509
2-[[(1S)-1-pyridin-2-ylethyl]amino]-N-(2,2,2-trifluoroethyl)thieno[3,2-d]pyrimidine-4-carboxamide
CID 137539530
(3,3-difluoroazetidin-1-yl)-[2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]methanone
CID 137539644

Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfonyl-N-methyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridine-2-carboxamide?
The IUPAC name of 5-ethylsulfonyl-N-methyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridine-2-carboxamide (CID 122485676) is 5-ethylsulfonyl-N-methyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for 5-ethylsulfonyl-N-methyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridine-2-carboxamide?
The canonical SMILES for 5-ethylsulfonyl-N-methyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridine-2-carboxamide is CCS(=O)(=O)c1ccc(C(=O)NC)nc1-c1nc2cc(C(F)(F)F)ncc2n1C.
What is the InChIKey of 5-ethylsulfonyl-N-methyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridine-2-carboxamide?
The InChIKey is FMLUXZWRCMETGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N5O3S/c1-4-29(27,28)12-6-5-9(16(26)21-2)23-14(12)15-24-10-7-13(17(18,19)20)22-8-11(10)25(15)3/h5-8H,4H2,1-3H3,(H,21,26).
What are the key properties of 5-ethylsulfonyl-N-methyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridine-2-carboxamide?
5-ethylsulfonyl-N-methyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridine-2-carboxamide has a molecular weight of 427.41 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfonyl-N-methyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 122485676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).