4-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one

C19H18F3N3O3S — CID 164921824

IUPAC4-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
SMILESO=C1Cc2c(C3CCN(S(=O)(=O)c4ccc(C(F)(F)F)cc4)CC3)ccnc2N1
InChIInChI=1S/C19H18F3N3O3S/c20-19(21,22)13-1-3-14(4-2-13)29(27,28)25-9-6-12(7-10-25)15-5-8-23-18-16(15)11-17(26)24-18/h1-5,8,12H,6-7,9-11H2,(H,23,24,26)
InChIKeyIZUDAGOLNXMGRV-UHFFFAOYSA-N
MW425.43 g/mol
LogP3.16
Rot. Bonds3

About 4-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one

4-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one (PubChem CID 164921824) has the molecular formula C19H18F3N3O3S and a molecular weight of 425.43 g/mol. Its IUPAC name is 4-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name4-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
PubChem CID164921824
Molecular FormulaC19H18F3N3O3S
Molecular Weight425.43 g/mol
Exact Mass425.10
IUPAC Name4-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
SMILESO=C1Cc2c(C3CCN(S(=O)(=O)c4ccc(C(F)(F)F)cc4)CC3)ccnc2N1
InChIInChI=1S/C19H18F3N3O3S/c20-19(21,22)13-1-3-14(4-2-13)29(27,28)25-9-6-12(7-10-25)15-5-8-23-18-16(15)11-17(26)24-18/h1-5,8,12H,6-7,9-11H2,(H,23,24,26)
InChIKeyIZUDAGOLNXMGRV-UHFFFAOYSA-N
XLogP3.16
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.43
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
The IUPAC name of 4-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one (CID 164921824) is 4-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one.
What is the SMILES notation for 4-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
The canonical SMILES for 4-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one is O=C1Cc2c(C3CCN(S(=O)(=O)c4ccc(C(F)(F)F)cc4)CC3)ccnc2N1.
What is the InChIKey of 4-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
The InChIKey is IZUDAGOLNXMGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O3S/c20-19(21,22)13-1-3-14(4-2-13)29(27,28)25-9-6-12(7-10-25)15-5-8-23-18-16(15)11-17(26)24-18/h1-5,8,12H,6-7,9-11H2,(H,23,24,26).
What are the key properties of 4-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
4-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one has a molecular weight of 425.43 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one is sourced from PubChem (CID 164921824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).