6-cyano-N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]ethyl]pyridine-3-sulfonamide

C17H15F3N6O2S — CID 24985395

IUPAC6-cyano-N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]ethyl]pyridine-3-sulfonamide
SMILESCCn1c([C@@H](C)NS(=O)(=O)c2ccc(C#N)nc2)nc2cnc(C(F)(F)F)cc21
InChIInChI=1S/C17H15F3N6O2S/c1-3-26-14-6-15(17(18,19)20)23-9-13(14)24-16(26)10(2)25-29(27,28)12-5-4-11(7-21)22-8-12/h4-6,8-10,25H,3H2,1-2H3/t10-/m1/s1
InChIKeyGAPKQSFTRWQZTL-SNVBAGLBSA-N
MW424.41 g/mol
LogP2.78
Rot. Bonds5

About 6-cyano-N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]ethyl]pyridine-3-sulfonamide

6-cyano-N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]ethyl]pyridine-3-sulfonamide (PubChem CID 24985395) has the molecular formula C17H15F3N6O2S and a molecular weight of 424.41 g/mol. Its IUPAC name is 6-cyano-N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]ethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-cyano-N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]ethyl]pyridine-3-sulfonamide
PubChem CID24985395
Molecular FormulaC17H15F3N6O2S
Molecular Weight424.41 g/mol
Exact Mass424.09
IUPAC Name6-cyano-N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]ethyl]pyridine-3-sulfonamide
SMILESCCn1c([C@@H](C)NS(=O)(=O)c2ccc(C#N)nc2)nc2cnc(C(F)(F)F)cc21
InChIInChI=1S/C17H15F3N6O2S/c1-3-26-14-6-15(17(18,19)20)23-9-13(14)24-16(26)10(2)25-29(27,28)12-5-4-11(7-21)22-8-12/h4-6,8-10,25H,3H2,1-2H3/t10-/m1/s1
InChIKeyGAPKQSFTRWQZTL-SNVBAGLBSA-N
XLogP2.78
TPSA113.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.41
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-cyano-N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]ethyl]pyridine-3-sulfonamide?
The IUPAC name of 6-cyano-N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]ethyl]pyridine-3-sulfonamide (CID 24985395) is 6-cyano-N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]ethyl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-cyano-N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]ethyl]pyridine-3-sulfonamide?
The canonical SMILES for 6-cyano-N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]ethyl]pyridine-3-sulfonamide is CCn1c([C@@H](C)NS(=O)(=O)c2ccc(C#N)nc2)nc2cnc(C(F)(F)F)cc21.
What is the InChIKey of 6-cyano-N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]ethyl]pyridine-3-sulfonamide?
The InChIKey is GAPKQSFTRWQZTL-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H15F3N6O2S/c1-3-26-14-6-15(17(18,19)20)23-9-13(14)24-16(26)10(2)25-29(27,28)12-5-4-11(7-21)22-8-12/h4-6,8-10,25H,3H2,1-2H3/t10-/m1/s1.
What are the key properties of 6-cyano-N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]ethyl]pyridine-3-sulfonamide?
6-cyano-N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]ethyl]pyridine-3-sulfonamide has a molecular weight of 424.41 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]ethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 24985395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).