2-(6-chloro-3-ethylsulfinyl-2-pyridinyl)-5-methoxy-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one

C16H14ClF3N4O3S — CID 134466906

IUPAC2-(6-chloro-3-ethylsulfinyl-2-pyridinyl)-5-methoxy-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one
SMILESCCS(=O)c1ccc(Cl)nc1-c1nc2cc(C(F)(F)F)n(OC)c(=O)c2n1C
InChIInChI=1S/C16H14ClF3N4O3S/c1-4-28(26)9-5-6-11(17)22-12(9)14-21-8-7-10(16(18,19)20)24(27-3)15(25)13(8)23(14)2/h5-7H,4H2,1-3H3
InChIKeyGFWUPKHGUPQRGB-UHFFFAOYSA-N
MW434.83 g/mol
LogP2.66
Rot. Bonds4

About 2-(6-chloro-3-ethylsulfinyl-2-pyridinyl)-5-methoxy-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one

2-(6-chloro-3-ethylsulfinyl-2-pyridinyl)-5-methoxy-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one (PubChem CID 134466906) has the molecular formula C16H14ClF3N4O3S and a molecular weight of 434.83 g/mol. Its IUPAC name is 2-(6-chloro-3-ethylsulfinyl-2-pyridinyl)-5-methoxy-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name2-(6-chloro-3-ethylsulfinyl-2-pyridinyl)-5-methoxy-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one
PubChem CID134466906
Molecular FormulaC16H14ClF3N4O3S
Molecular Weight434.83 g/mol
Exact Mass434.04
IUPAC Name2-(6-chloro-3-ethylsulfinyl-2-pyridinyl)-5-methoxy-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one
SMILESCCS(=O)c1ccc(Cl)nc1-c1nc2cc(C(F)(F)F)n(OC)c(=O)c2n1C
InChIInChI=1S/C16H14ClF3N4O3S/c1-4-28(26)9-5-6-11(17)22-12(9)14-21-8-7-10(16(18,19)20)24(27-3)15(25)13(8)23(14)2/h5-7H,4H2,1-3H3
InChIKeyGFWUPKHGUPQRGB-UHFFFAOYSA-N
XLogP2.66
TPSA79.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.83
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-[5-ethylsulfinyl-6-[5-methoxy-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]cyclopropane-1-carbonitrile
CID 134466910
2-(6-amino-5-bromo-3-ethylsulfinyl-2-pyridinyl)-5-cyclopropyl-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one
CID 155172215
2-[3-ethylsulfonyl-6-(triazol-2-yl)-2-pyridinyl]-5-methoxy-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one
CID 134466883
2-[3-ethylsulfonyl-4-[5-methoxy-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]phenyl]-2-methylpropanenitrile
CID 134466847
N-[6-[5-ethyl-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfinyl-3-pyridinyl]-N-methylcyclopropanesulfinamide
CID 155172182
2-[6-(4-chlorophenyl)-3-ethylsulfinyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 166991071
2-(6-chloro-3-ethylsulfanyl-2-pyridinyl)-4-iodo-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 135289905
2-[3-ethylsulfinyl-6-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 122430784
2-(3-ethylsulfinyl-2-pyridinyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 71250990
2-[3-ethylsulfinyl-6-(1,2,4-triazol-1-yl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 129140267
2,3,5-trimethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one
CID 166152799
5-benzyl-2-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one
CID 118900962

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-3-ethylsulfinyl-2-pyridinyl)-5-methoxy-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one?
The IUPAC name of 2-(6-chloro-3-ethylsulfinyl-2-pyridinyl)-5-methoxy-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one (CID 134466906) is 2-(6-chloro-3-ethylsulfinyl-2-pyridinyl)-5-methoxy-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one.
What is the SMILES notation for 2-(6-chloro-3-ethylsulfinyl-2-pyridinyl)-5-methoxy-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one?
The canonical SMILES for 2-(6-chloro-3-ethylsulfinyl-2-pyridinyl)-5-methoxy-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one is CCS(=O)c1ccc(Cl)nc1-c1nc2cc(C(F)(F)F)n(OC)c(=O)c2n1C.
What is the InChIKey of 2-(6-chloro-3-ethylsulfinyl-2-pyridinyl)-5-methoxy-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one?
The InChIKey is GFWUPKHGUPQRGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF3N4O3S/c1-4-28(26)9-5-6-11(17)22-12(9)14-21-8-7-10(16(18,19)20)24(27-3)15(25)13(8)23(14)2/h5-7H,4H2,1-3H3.
What are the key properties of 2-(6-chloro-3-ethylsulfinyl-2-pyridinyl)-5-methoxy-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one?
2-(6-chloro-3-ethylsulfinyl-2-pyridinyl)-5-methoxy-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one has a molecular weight of 434.83 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-3-ethylsulfinyl-2-pyridinyl)-5-methoxy-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one is sourced from PubChem (CID 134466906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).