6-(difluoromethoxy)-2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]-3-methylimidazo[4,5-c]pyridine

C16H13F5N4OS — CID 121458111

IUPAC6-(difluoromethoxy)-2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]-3-methylimidazo[4,5-c]pyridine
SMILESCCSc1cc(C(F)(F)F)cnc1-c1nc2cc(OC(F)F)ncc2n1C
InChIInChI=1S/C16H13F5N4OS/c1-3-27-11-4-8(16(19,20)21)6-23-13(11)14-24-9-5-12(26-15(17)18)22-7-10(9)25(14)2/h4-7,15H,3H2,1-2H3
InChIKeyNNNQGQZFNOJYJM-UHFFFAOYSA-N
MW404.36 g/mol
LogP4.76
Rot. Bonds5

About 6-(difluoromethoxy)-2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]-3-methylimidazo[4,5-c]pyridine

6-(difluoromethoxy)-2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]-3-methylimidazo[4,5-c]pyridine (PubChem CID 121458111) has the molecular formula C16H13F5N4OS and a molecular weight of 404.36 g/mol. Its IUPAC name is 6-(difluoromethoxy)-2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]-3-methylimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name6-(difluoromethoxy)-2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]-3-methylimidazo[4,5-c]pyridine
PubChem CID121458111
Molecular FormulaC16H13F5N4OS
Molecular Weight404.36 g/mol
Exact Mass404.07
IUPAC Name6-(difluoromethoxy)-2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]-3-methylimidazo[4,5-c]pyridine
SMILESCCSc1cc(C(F)(F)F)cnc1-c1nc2cc(OC(F)F)ncc2n1C
InChIInChI=1S/C16H13F5N4OS/c1-3-27-11-4-8(16(19,20)21)6-23-13(11)14-24-9-5-12(26-15(17)18)22-7-10(9)25(14)2/h4-7,15H,3H2,1-2H3
InChIKeyNNNQGQZFNOJYJM-UHFFFAOYSA-N
XLogP4.76
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.36
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethoxy)-2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]-3-methylimidazo[4,5-c]pyridine?
The IUPAC name of 6-(difluoromethoxy)-2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]-3-methylimidazo[4,5-c]pyridine (CID 121458111) is 6-(difluoromethoxy)-2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]-3-methylimidazo[4,5-c]pyridine.
What is the SMILES notation for 6-(difluoromethoxy)-2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]-3-methylimidazo[4,5-c]pyridine?
The canonical SMILES for 6-(difluoromethoxy)-2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]-3-methylimidazo[4,5-c]pyridine is CCSc1cc(C(F)(F)F)cnc1-c1nc2cc(OC(F)F)ncc2n1C.
What is the InChIKey of 6-(difluoromethoxy)-2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]-3-methylimidazo[4,5-c]pyridine?
The InChIKey is NNNQGQZFNOJYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F5N4OS/c1-3-27-11-4-8(16(19,20)21)6-23-13(11)14-24-9-5-12(26-15(17)18)22-7-10(9)25(14)2/h4-7,15H,3H2,1-2H3.
What are the key properties of 6-(difluoromethoxy)-2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]-3-methylimidazo[4,5-c]pyridine?
6-(difluoromethoxy)-2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]-3-methylimidazo[4,5-c]pyridine has a molecular weight of 404.36 g/mol, XLogP of 4.76, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethoxy)-2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]-3-methylimidazo[4,5-c]pyridine is sourced from PubChem (CID 121458111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).