2-(5-cyclopropyl-3-ethylsulfonyl-2-pyridinyl)-3,5-dimethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one

C19H19F3N4O3S — CID 118900957

IUPAC2-(5-cyclopropyl-3-ethylsulfonyl-2-pyridinyl)-3,5-dimethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one
SMILESCCS(=O)(=O)c1cc(C2CC2)cnc1-c1nc2cc(C(F)(F)F)n(C)c(=O)c2n1C
InChIInChI=1S/C19H19F3N4O3S/c1-4-30(28,29)13-7-11(10-5-6-10)9-23-15(13)17-24-12-8-14(19(20,21)22)25(2)18(27)16(12)26(17)3/h7-10H,4-6H2,1-3H3
InChIKeyUKOFNLVCVSCAAT-UHFFFAOYSA-N
MW440.45 g/mol
LogP3.02
Rot. Bonds4

About 2-(5-cyclopropyl-3-ethylsulfonyl-2-pyridinyl)-3,5-dimethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one

2-(5-cyclopropyl-3-ethylsulfonyl-2-pyridinyl)-3,5-dimethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one (PubChem CID 118900957) has the molecular formula C19H19F3N4O3S and a molecular weight of 440.45 g/mol. Its IUPAC name is 2-(5-cyclopropyl-3-ethylsulfonyl-2-pyridinyl)-3,5-dimethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name2-(5-cyclopropyl-3-ethylsulfonyl-2-pyridinyl)-3,5-dimethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one
PubChem CID118900957
Molecular FormulaC19H19F3N4O3S
Molecular Weight440.45 g/mol
Exact Mass440.11
IUPAC Name2-(5-cyclopropyl-3-ethylsulfonyl-2-pyridinyl)-3,5-dimethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one
SMILESCCS(=O)(=O)c1cc(C2CC2)cnc1-c1nc2cc(C(F)(F)F)n(C)c(=O)c2n1C
InChIInChI=1S/C19H19F3N4O3S/c1-4-30(28,29)13-7-11(10-5-6-10)9-23-15(13)17-24-12-8-14(19(20,21)22)25(2)18(27)16(12)26(17)3/h7-10H,4-6H2,1-3H3
InChIKeyUKOFNLVCVSCAAT-UHFFFAOYSA-N
XLogP3.02
TPSA86.85 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.45
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(5-cyclopropyl-3-ethylsulfonyl-2-pyridinyl)-3,5-dimethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one?
The IUPAC name of 2-(5-cyclopropyl-3-ethylsulfonyl-2-pyridinyl)-3,5-dimethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one (CID 118900957) is 2-(5-cyclopropyl-3-ethylsulfonyl-2-pyridinyl)-3,5-dimethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one.
What is the SMILES notation for 2-(5-cyclopropyl-3-ethylsulfonyl-2-pyridinyl)-3,5-dimethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one?
The canonical SMILES for 2-(5-cyclopropyl-3-ethylsulfonyl-2-pyridinyl)-3,5-dimethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one is CCS(=O)(=O)c1cc(C2CC2)cnc1-c1nc2cc(C(F)(F)F)n(C)c(=O)c2n1C.
What is the InChIKey of 2-(5-cyclopropyl-3-ethylsulfonyl-2-pyridinyl)-3,5-dimethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one?
The InChIKey is UKOFNLVCVSCAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O3S/c1-4-30(28,29)13-7-11(10-5-6-10)9-23-15(13)17-24-12-8-14(19(20,21)22)25(2)18(27)16(12)26(17)3/h7-10H,4-6H2,1-3H3.
What are the key properties of 2-(5-cyclopropyl-3-ethylsulfonyl-2-pyridinyl)-3,5-dimethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one?
2-(5-cyclopropyl-3-ethylsulfonyl-2-pyridinyl)-3,5-dimethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one has a molecular weight of 440.45 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyclopropyl-3-ethylsulfonyl-2-pyridinyl)-3,5-dimethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one is sourced from PubChem (CID 118900957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).