6-[3,4-dimethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfanyl-N-methylpyridine-2-carboxamide

C18H18F3N5OS — CID 135299001

IUPAC6-[3,4-dimethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfanyl-N-methylpyridine-2-carboxamide
SMILESCCSc1ccc(C(=O)NC)nc1-c1nc2cc(C(F)(F)F)nc(C)c2n1C
InChIInChI=1S/C18H18F3N5OS/c1-5-28-12-7-6-10(17(27)22-3)24-14(12)16-25-11-8-13(18(19,20)21)23-9(2)15(11)26(16)4/h6-8H,5H2,1-4H3,(H,22,27)
InChIKeyCDZWSGQCIAXIHH-UHFFFAOYSA-N
MW409.44 g/mol
LogP3.83
Rot. Bonds4

About 6-[3,4-dimethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfanyl-N-methylpyridine-2-carboxamide

6-[3,4-dimethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfanyl-N-methylpyridine-2-carboxamide (PubChem CID 135299001) has the molecular formula C18H18F3N5OS and a molecular weight of 409.44 g/mol. Its IUPAC name is 6-[3,4-dimethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfanyl-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-[3,4-dimethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfanyl-N-methylpyridine-2-carboxamide
PubChem CID135299001
Molecular FormulaC18H18F3N5OS
Molecular Weight409.44 g/mol
Exact Mass409.12
IUPAC Name6-[3,4-dimethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfanyl-N-methylpyridine-2-carboxamide
SMILESCCSc1ccc(C(=O)NC)nc1-c1nc2cc(C(F)(F)F)nc(C)c2n1C
InChIInChI=1S/C18H18F3N5OS/c1-5-28-12-7-6-10(17(27)22-3)24-14(12)16-25-11-8-13(18(19,20)21)23-9(2)15(11)26(16)4/h6-8H,5H2,1-4H3,(H,22,27)
InChIKeyCDZWSGQCIAXIHH-UHFFFAOYSA-N
XLogP3.83
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[3,4-dimethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfanyl-N-methylpyridine-2-carboxamide?
The IUPAC name of 6-[3,4-dimethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfanyl-N-methylpyridine-2-carboxamide (CID 135299001) is 6-[3,4-dimethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfanyl-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 6-[3,4-dimethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfanyl-N-methylpyridine-2-carboxamide?
The canonical SMILES for 6-[3,4-dimethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfanyl-N-methylpyridine-2-carboxamide is CCSc1ccc(C(=O)NC)nc1-c1nc2cc(C(F)(F)F)nc(C)c2n1C.
What is the InChIKey of 6-[3,4-dimethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfanyl-N-methylpyridine-2-carboxamide?
The InChIKey is CDZWSGQCIAXIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N5OS/c1-5-28-12-7-6-10(17(27)22-3)24-14(12)16-25-11-8-13(18(19,20)21)23-9(2)15(11)26(16)4/h6-8H,5H2,1-4H3,(H,22,27).
What are the key properties of 6-[3,4-dimethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfanyl-N-methylpyridine-2-carboxamide?
6-[3,4-dimethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfanyl-N-methylpyridine-2-carboxamide has a molecular weight of 409.44 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3,4-dimethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfanyl-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 135299001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).