5-ethyl-2-[3-ethylsulfonyl-5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one

C24H20F6N4O3S — CID 118900958

IUPAC5-ethyl-2-[3-ethylsulfonyl-5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one
SMILESCCn1c(C(F)(F)F)cc2nc(-c3ncc(-c4ccc(C(F)(F)F)cc4)cc3S(=O)(=O)CC)n(C)c2c1=O
InChIInChI=1S/C24H20F6N4O3S/c1-4-34-18(24(28,29)30)11-16-20(22(34)35)33(3)21(32-16)19-17(38(36,37)5-2)10-14(12-31-19)13-6-8-15(9-7-13)23(25,26)27/h6-12H,4-5H2,1-3H3
InChIKeyHDGADMOANNKVJZ-UHFFFAOYSA-N
MW558.50 g/mol
LogP5.32
Rot. Bonds5

About 5-ethyl-2-[3-ethylsulfonyl-5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one

5-ethyl-2-[3-ethylsulfonyl-5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one (PubChem CID 118900958) has the molecular formula C24H20F6N4O3S and a molecular weight of 558.50 g/mol. Its IUPAC name is 5-ethyl-2-[3-ethylsulfonyl-5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name5-ethyl-2-[3-ethylsulfonyl-5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one
PubChem CID118900958
Molecular FormulaC24H20F6N4O3S
Molecular Weight558.50 g/mol
Exact Mass558.12
IUPAC Name5-ethyl-2-[3-ethylsulfonyl-5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one
SMILESCCn1c(C(F)(F)F)cc2nc(-c3ncc(-c4ccc(C(F)(F)F)cc4)cc3S(=O)(=O)CC)n(C)c2c1=O
InChIInChI=1S/C24H20F6N4O3S/c1-4-34-18(24(28,29)30)11-16-20(22(34)35)33(3)21(32-16)19-17(38(36,37)5-2)10-14(12-31-19)13-6-8-15(9-7-13)23(25,26)27/h6-12H,4-5H2,1-3H3
InChIKeyHDGADMOANNKVJZ-UHFFFAOYSA-N
XLogP5.32
TPSA86.85 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.50
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-[3-ethylsulfonyl-5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one?
The IUPAC name of 5-ethyl-2-[3-ethylsulfonyl-5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one (CID 118900958) is 5-ethyl-2-[3-ethylsulfonyl-5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one.
What is the SMILES notation for 5-ethyl-2-[3-ethylsulfonyl-5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one?
The canonical SMILES for 5-ethyl-2-[3-ethylsulfonyl-5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one is CCn1c(C(F)(F)F)cc2nc(-c3ncc(-c4ccc(C(F)(F)F)cc4)cc3S(=O)(=O)CC)n(C)c2c1=O.
What is the InChIKey of 5-ethyl-2-[3-ethylsulfonyl-5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one?
The InChIKey is HDGADMOANNKVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F6N4O3S/c1-4-34-18(24(28,29)30)11-16-20(22(34)35)33(3)21(32-16)19-17(38(36,37)5-2)10-14(12-31-19)13-6-8-15(9-7-13)23(25,26)27/h6-12H,4-5H2,1-3H3.
What are the key properties of 5-ethyl-2-[3-ethylsulfonyl-5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one?
5-ethyl-2-[3-ethylsulfonyl-5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one has a molecular weight of 558.50 g/mol, XLogP of 5.32, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-[3-ethylsulfonyl-5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one is sourced from PubChem (CID 118900958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).