4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-6-[3-(trifluoromethoxy)phenyl]-1H-pyridin-2-one

C19H12F3N3O2 — CID 53494818

IUPAC4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-6-[3-(trifluoromethoxy)phenyl]-1H-pyridin-2-one
SMILESO=c1cc(-c2c[nH]c3ncccc23)cc(-c2cccc(OC(F)(F)F)c2)[nH]1
InChIInChI=1S/C19H12F3N3O2/c20-19(21,22)27-13-4-1-3-11(7-13)16-8-12(9-17(26)25-16)15-10-24-18-14(15)5-2-6-23-18/h1-10H,(H,23,24)(H,25,26)
InChIKeyKEESZFVFGKHGKG-UHFFFAOYSA-N
MW371.32 g/mol
LogP4.48
Rot. Bonds3

About 4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-6-[3-(trifluoromethoxy)phenyl]-1H-pyridin-2-one

4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-6-[3-(trifluoromethoxy)phenyl]-1H-pyridin-2-one (PubChem CID 53494818) has the molecular formula C19H12F3N3O2 and a molecular weight of 371.32 g/mol. Its IUPAC name is 4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-6-[3-(trifluoromethoxy)phenyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-6-[3-(trifluoromethoxy)phenyl]-1H-pyridin-2-one
PubChem CID53494818
Molecular FormulaC19H12F3N3O2
Molecular Weight371.32 g/mol
Exact Mass371.09
IUPAC Name4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-6-[3-(trifluoromethoxy)phenyl]-1H-pyridin-2-one
SMILESO=c1cc(-c2c[nH]c3ncccc23)cc(-c2cccc(OC(F)(F)F)c2)[nH]1
InChIInChI=1S/C19H12F3N3O2/c20-19(21,22)27-13-4-1-3-11(7-13)16-8-12(9-17(26)25-16)15-10-24-18-14(15)5-2-6-23-18/h1-10H,(H,23,24)(H,25,26)
InChIKeyKEESZFVFGKHGKG-UHFFFAOYSA-N
XLogP4.48
TPSA70.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.32
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-6-[3-(trifluoromethoxy)phenyl]-1H-pyridin-2-one?
The IUPAC name of 4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-6-[3-(trifluoromethoxy)phenyl]-1H-pyridin-2-one (CID 53494818) is 4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-6-[3-(trifluoromethoxy)phenyl]-1H-pyridin-2-one.
What is the SMILES notation for 4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-6-[3-(trifluoromethoxy)phenyl]-1H-pyridin-2-one?
The canonical SMILES for 4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-6-[3-(trifluoromethoxy)phenyl]-1H-pyridin-2-one is O=c1cc(-c2c[nH]c3ncccc23)cc(-c2cccc(OC(F)(F)F)c2)[nH]1.
What is the InChIKey of 4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-6-[3-(trifluoromethoxy)phenyl]-1H-pyridin-2-one?
The InChIKey is KEESZFVFGKHGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F3N3O2/c20-19(21,22)27-13-4-1-3-11(7-13)16-8-12(9-17(26)25-16)15-10-24-18-14(15)5-2-6-23-18/h1-10H,(H,23,24)(H,25,26).
What are the key properties of 4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-6-[3-(trifluoromethoxy)phenyl]-1H-pyridin-2-one?
4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-6-[3-(trifluoromethoxy)phenyl]-1H-pyridin-2-one has a molecular weight of 371.32 g/mol, XLogP of 4.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-6-[3-(trifluoromethoxy)phenyl]-1H-pyridin-2-one is sourced from PubChem (CID 53494818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).