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

C24H23F3N4O3S — CID 118656797

IUPAC2-[3-ethylsulfonyl-5-(4-methoxy-3,5-dimethylphenyl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
SMILESCCS(=O)(=O)c1cc(-c2cc(C)c(OC)c(C)c2)cnc1-c1nc2cc(C(F)(F)F)ncc2n1C
InChIInChI=1S/C24H23F3N4O3S/c1-6-35(32,33)19-9-16(15-7-13(2)22(34-5)14(3)8-15)11-29-21(19)23-30-17-10-20(24(25,26)27)28-12-18(17)31(23)4/h7-12H,6H2,1-5H3
InChIKeyXCDDGMNXMPRRAU-UHFFFAOYSA-N
MW504.53 g/mol
LogP5.14
Rot. Bonds5

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

2-[3-ethylsulfonyl-5-(4-methoxy-3,5-dimethylphenyl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine (PubChem CID 118656797) has the molecular formula C24H23F3N4O3S and a molecular weight of 504.53 g/mol. Its IUPAC name is 2-[3-ethylsulfonyl-5-(4-methoxy-3,5-dimethylphenyl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-[3-ethylsulfonyl-5-(4-methoxy-3,5-dimethylphenyl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
PubChem CID118656797
Molecular FormulaC24H23F3N4O3S
Molecular Weight504.53 g/mol
Exact Mass504.14
IUPAC Name2-[3-ethylsulfonyl-5-(4-methoxy-3,5-dimethylphenyl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
SMILESCCS(=O)(=O)c1cc(-c2cc(C)c(OC)c(C)c2)cnc1-c1nc2cc(C(F)(F)F)ncc2n1C
InChIInChI=1S/C24H23F3N4O3S/c1-6-35(32,33)19-9-16(15-7-13(2)22(34-5)14(3)8-15)11-29-21(19)23-30-17-10-20(24(25,26)27)28-12-18(17)31(23)4/h7-12H,6H2,1-5H3
InChIKeyXCDDGMNXMPRRAU-UHFFFAOYSA-N
XLogP5.14
TPSA86.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.53
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3-ethylsulfonyl-5-(4-methoxy-3,5-dimethylphenyl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The IUPAC name of 2-[3-ethylsulfonyl-5-(4-methoxy-3,5-dimethylphenyl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine (CID 118656797) is 2-[3-ethylsulfonyl-5-(4-methoxy-3,5-dimethylphenyl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-[3-ethylsulfonyl-5-(4-methoxy-3,5-dimethylphenyl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The canonical SMILES for 2-[3-ethylsulfonyl-5-(4-methoxy-3,5-dimethylphenyl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine is CCS(=O)(=O)c1cc(-c2cc(C)c(OC)c(C)c2)cnc1-c1nc2cc(C(F)(F)F)ncc2n1C.
What is the InChIKey of 2-[3-ethylsulfonyl-5-(4-methoxy-3,5-dimethylphenyl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The InChIKey is XCDDGMNXMPRRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N4O3S/c1-6-35(32,33)19-9-16(15-7-13(2)22(34-5)14(3)8-15)11-29-21(19)23-30-17-10-20(24(25,26)27)28-12-18(17)31(23)4/h7-12H,6H2,1-5H3.
What are the key properties of 2-[3-ethylsulfonyl-5-(4-methoxy-3,5-dimethylphenyl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
2-[3-ethylsulfonyl-5-(4-methoxy-3,5-dimethylphenyl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine has a molecular weight of 504.53 g/mol, XLogP of 5.14, 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-methoxy-3,5-dimethylphenyl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 118656797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).