4-[3-(3-ethyl-2-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]morpholin-3-one

C19H18FN3O2 — CID 142427968

IUPAC4-[3-(3-ethyl-2-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]morpholin-3-one
SMILESCCc1c(F)[nH]c2ncc(-c3cccc(N4CCOCC4=O)c3)cc12
InChIInChI=1S/C19H18FN3O2/c1-2-15-16-9-13(10-21-19(16)22-18(15)20)12-4-3-5-14(8-12)23-6-7-25-11-17(23)24/h3-5,8-10H,2,6-7,11H2,1H3,(H,21,22)
InChIKeyLDQAHDVUCCSAIU-UHFFFAOYSA-N
MW339.37 g/mol
LogP3.29
Rot. Bonds3

About 4-[3-(3-ethyl-2-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]morpholin-3-one

4-[3-(3-ethyl-2-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]morpholin-3-one (PubChem CID 142427968) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is 4-[3-(3-ethyl-2-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]morpholin-3-one.

Molecular Properties

Compound Name4-[3-(3-ethyl-2-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]morpholin-3-one
PubChem CID142427968
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC Name4-[3-(3-ethyl-2-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]morpholin-3-one
SMILESCCc1c(F)[nH]c2ncc(-c3cccc(N4CCOCC4=O)c3)cc12
InChIInChI=1S/C19H18FN3O2/c1-2-15-16-9-13(10-21-19(16)22-18(15)20)12-4-3-5-14(8-12)23-6-7-25-11-17(23)24/h3-5,8-10H,2,6-7,11H2,1H3,(H,21,22)
InChIKeyLDQAHDVUCCSAIU-UHFFFAOYSA-N
XLogP3.29
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-ethyl-2-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]morpholin-3-one?
The IUPAC name of 4-[3-(3-ethyl-2-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]morpholin-3-one (CID 142427968) is 4-[3-(3-ethyl-2-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]morpholin-3-one.
What is the SMILES notation for 4-[3-(3-ethyl-2-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]morpholin-3-one?
The canonical SMILES for 4-[3-(3-ethyl-2-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]morpholin-3-one is CCc1c(F)[nH]c2ncc(-c3cccc(N4CCOCC4=O)c3)cc12.
What is the InChIKey of 4-[3-(3-ethyl-2-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]morpholin-3-one?
The InChIKey is LDQAHDVUCCSAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2/c1-2-15-16-9-13(10-21-19(16)22-18(15)20)12-4-3-5-14(8-12)23-6-7-25-11-17(23)24/h3-5,8-10H,2,6-7,11H2,1H3,(H,21,22).
What are the key properties of 4-[3-(3-ethyl-2-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]morpholin-3-one?
4-[3-(3-ethyl-2-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]morpholin-3-one has a molecular weight of 339.37 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-ethyl-2-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]morpholin-3-one is sourced from PubChem (CID 142427968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).