2-[3-ethylsulfonyl-5-(4-methoxyphenyl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine

C22H19F3N4O3S — CID 129193258

IUPAC2-[3-ethylsulfonyl-5-(4-methoxyphenyl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
SMILESCCS(=O)(=O)c1cc(-c2ccc(OC)cc2)cnc1-c1nc2cc(C(F)(F)F)ncc2n1C
InChIInChI=1S/C22H19F3N4O3S/c1-4-33(30,31)18-9-14(13-5-7-15(32-3)8-6-13)11-27-20(18)21-28-16-10-19(22(23,24)25)26-12-17(16)29(21)2/h5-12H,4H2,1-3H3
InChIKeyWCSUTVCPMYNIDS-UHFFFAOYSA-N
MW476.48 g/mol
LogP4.52
Rot. Bonds5

About 2-[3-ethylsulfonyl-5-(4-methoxyphenyl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine

2-[3-ethylsulfonyl-5-(4-methoxyphenyl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine (PubChem CID 129193258) has the molecular formula C22H19F3N4O3S and a molecular weight of 476.48 g/mol. Its IUPAC name is 2-[3-ethylsulfonyl-5-(4-methoxyphenyl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-[3-ethylsulfonyl-5-(4-methoxyphenyl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
PubChem CID129193258
Molecular FormulaC22H19F3N4O3S
Molecular Weight476.48 g/mol
Exact Mass476.11
IUPAC Name2-[3-ethylsulfonyl-5-(4-methoxyphenyl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
SMILESCCS(=O)(=O)c1cc(-c2ccc(OC)cc2)cnc1-c1nc2cc(C(F)(F)F)ncc2n1C
InChIInChI=1S/C22H19F3N4O3S/c1-4-33(30,31)18-9-14(13-5-7-15(32-3)8-6-13)11-27-20(18)21-28-16-10-19(22(23,24)25)26-12-17(16)29(21)2/h5-12H,4H2,1-3H3
InChIKeyWCSUTVCPMYNIDS-UHFFFAOYSA-N
XLogP4.52
TPSA86.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.48
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

Darigabat
CID 76287260
8-(2,6-dimethyl-3-pyridinyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-1-methylsulfonylimidazo[1,5-c]pyrimidin-5-amine
CID 146681125
2-Benzyl-3-(3-(3-(methylsulfonyl)phenoxy)phenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 42641405
US10676479, Example 10
CID 139346214
N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-1-methylsulfonyl-8-[6-(trifluoromethyl)-3-pyridinyl]imidazo[1,5-c]pyrimidin-5-amine
CID 156011318
8-[6-(difluoromethyl)-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-1-methylsulfonylimidazo[1,5-c]pyrimidin-5-amine
CID 156012299
N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-1-methylsulfonyl-8-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]imidazo[1,5-c]pyrimidin-5-amine
CID 156017861
N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(6-methyl-3-pyridinyl)-1-methylsulfonylimidazo[1,5-c]pyrimidin-5-amine
CID 156018385
1h-Imidazole,2-(3-fluoro-4-methoxyphenyl)-1-[4-(methylsulfonyl)phenyl]-4-(trifluoromethyl)-
CID 10136509
1-(4-Methanesulfonyl-phenyl)-2-(4-methoxy-3,5-dimethyl-phenyl)-4-trifluoromethyl-1H-imidazole
CID 10598409
1-(4-Methanesulfonyl-phenyl)-2-(4-methoxy-phenyl)-4-trifluoromethyl-1H-imidazole
CID 10739510
1-(4-Methanesulfonyl-phenyl)-2-(3-methoxy-phenyl)-4-trifluoromethyl-1H-imidazole
CID 10810738

Frequently Asked Questions

What is the IUPAC name of 2-[3-ethylsulfonyl-5-(4-methoxyphenyl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The IUPAC name of 2-[3-ethylsulfonyl-5-(4-methoxyphenyl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine (CID 129193258) is 2-[3-ethylsulfonyl-5-(4-methoxyphenyl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-[3-ethylsulfonyl-5-(4-methoxyphenyl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The canonical SMILES for 2-[3-ethylsulfonyl-5-(4-methoxyphenyl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine is CCS(=O)(=O)c1cc(-c2ccc(OC)cc2)cnc1-c1nc2cc(C(F)(F)F)ncc2n1C.
What is the InChIKey of 2-[3-ethylsulfonyl-5-(4-methoxyphenyl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The InChIKey is WCSUTVCPMYNIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N4O3S/c1-4-33(30,31)18-9-14(13-5-7-15(32-3)8-6-13)11-27-20(18)21-28-16-10-19(22(23,24)25)26-12-17(16)29(21)2/h5-12H,4H2,1-3H3.
What are the key properties of 2-[3-ethylsulfonyl-5-(4-methoxyphenyl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
2-[3-ethylsulfonyl-5-(4-methoxyphenyl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine has a molecular weight of 476.48 g/mol, XLogP of 4.52, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-ethylsulfonyl-5-(4-methoxyphenyl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 129193258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).