[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone

C20H20F3N5O3S — CID 78324797

IUPAC[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESCCS(=O)(=O)c1cc(C(=O)N2CCCC2)cnc1-c1nc2cc(C(F)(F)F)cnc2n1C
InChIInChI=1S/C20H20F3N5O3S/c1-3-32(30,31)15-8-12(19(29)28-6-4-5-7-28)10-24-16(15)18-26-14-9-13(20(21,22)23)11-25-17(14)27(18)2/h8-11H,3-7H2,1-2H3
InChIKeyGRVBYGNNZGRWLO-UHFFFAOYSA-N
MW467.47 g/mol
LogP3.08
Rot. Bonds4

About [5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone

[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone (PubChem CID 78324797) has the molecular formula C20H20F3N5O3S and a molecular weight of 467.47 g/mol. Its IUPAC name is [5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
PubChem CID78324797
Molecular FormulaC20H20F3N5O3S
Molecular Weight467.47 g/mol
Exact Mass467.12
IUPAC Name[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESCCS(=O)(=O)c1cc(C(=O)N2CCCC2)cnc1-c1nc2cc(C(F)(F)F)cnc2n1C
InChIInChI=1S/C20H20F3N5O3S/c1-3-32(30,31)15-8-12(19(29)28-6-4-5-7-28)10-24-16(15)18-26-14-9-13(20(21,22)23)11-25-17(14)27(18)2/h8-11H,3-7H2,1-2H3
InChIKeyGRVBYGNNZGRWLO-UHFFFAOYSA-N
XLogP3.08
TPSA98.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.47
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone (CID 78324797) is [5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone is CCS(=O)(=O)c1cc(C(=O)N2CCCC2)cnc1-c1nc2cc(C(F)(F)F)cnc2n1C.
What is the InChIKey of [5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The InChIKey is GRVBYGNNZGRWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N5O3S/c1-3-32(30,31)15-8-12(19(29)28-6-4-5-7-28)10-24-16(15)18-26-14-9-13(20(21,22)23)11-25-17(14)27(18)2/h8-11H,3-7H2,1-2H3.
What are the key properties of [5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone?
[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone has a molecular weight of 467.47 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 78324797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).