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

C17H16F3N5O3S — CID 126580961

IUPAC5-ethylsulfonyl-N-methyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridine-2-carboxamide
SMILESCCS(=O)(=O)c1ccc(C(=O)NC)nc1-c1nc2cc(C(F)(F)F)cnc2n1C
InChIInChI=1S/C17H16F3N5O3S/c1-4-29(27,28)12-6-5-10(16(26)21-2)23-13(12)15-24-11-7-9(17(18,19)20)8-22-14(11)25(15)3/h5-8H,4H2,1-3H3,(H,21,26)
InChIKeyIHHXPXOCWNLBPZ-UHFFFAOYSA-N
MW427.41 g/mol
LogP2.20
Rot. Bonds4

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

5-ethylsulfonyl-N-methyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridine-2-carboxamide (PubChem CID 126580961) 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-b]pyridin-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-ethylsulfonyl-N-methyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridine-2-carboxamide
PubChem CID126580961
Molecular FormulaC17H16F3N5O3S
Molecular Weight427.41 g/mol
Exact Mass427.09
IUPAC Name5-ethylsulfonyl-N-methyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridine-2-carboxamide
SMILESCCS(=O)(=O)c1ccc(C(=O)NC)nc1-c1nc2cc(C(F)(F)F)cnc2n1C
InChIInChI=1S/C17H16F3N5O3S/c1-4-29(27,28)12-6-5-10(16(26)21-2)23-13(12)15-24-11-7-9(17(18,19)20)8-22-14(11)25(15)3/h5-8H,4H2,1-3H3,(H,21,26)
InChIKeyIHHXPXOCWNLBPZ-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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Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfonyl-N-methyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridine-2-carboxamide?
The IUPAC name of 5-ethylsulfonyl-N-methyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridine-2-carboxamide (CID 126580961) is 5-ethylsulfonyl-N-methyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for 5-ethylsulfonyl-N-methyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridine-2-carboxamide?
The canonical SMILES for 5-ethylsulfonyl-N-methyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridine-2-carboxamide is CCS(=O)(=O)c1ccc(C(=O)NC)nc1-c1nc2cc(C(F)(F)F)cnc2n1C.
What is the InChIKey of 5-ethylsulfonyl-N-methyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridine-2-carboxamide?
The InChIKey is IHHXPXOCWNLBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N5O3S/c1-4-29(27,28)12-6-5-10(16(26)21-2)23-13(12)15-24-11-7-9(17(18,19)20)8-22-14(11)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-b]pyridin-2-yl]pyridine-2-carboxamide?
5-ethylsulfonyl-N-methyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]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-b]pyridin-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 126580961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).