2-[2-(5-fluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-morpholin-4-yl-3H-pyridin-4-one

C19H20FN3O3 — CID 147440937

IUPAC2-[2-(5-fluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-morpholin-4-yl-3H-pyridin-4-one
SMILESO=C1C=C(N2CCOCC2)N=C(CC(=O)N2CCc3cc(F)ccc32)C1
InChIInChI=1S/C19H20FN3O3/c20-14-1-2-17-13(9-14)3-4-23(17)19(25)11-15-10-16(24)12-18(21-15)22-5-7-26-8-6-22/h1-2,9,12H,3-8,10-11H2
InChIKeyDWFAOBWAVWLONI-UHFFFAOYSA-N
MW357.39 g/mol
LogP1.69
Rot. Bonds3

About 2-[2-(5-fluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-morpholin-4-yl-3H-pyridin-4-one

2-[2-(5-fluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-morpholin-4-yl-3H-pyridin-4-one (PubChem CID 147440937) has the molecular formula C19H20FN3O3 and a molecular weight of 357.39 g/mol. Its IUPAC name is 2-[2-(5-fluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-morpholin-4-yl-3H-pyridin-4-one.

Molecular Properties

Compound Name2-[2-(5-fluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-morpholin-4-yl-3H-pyridin-4-one
PubChem CID147440937
Molecular FormulaC19H20FN3O3
Molecular Weight357.39 g/mol
Exact Mass357.15
IUPAC Name2-[2-(5-fluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-morpholin-4-yl-3H-pyridin-4-one
SMILESO=C1C=C(N2CCOCC2)N=C(CC(=O)N2CCc3cc(F)ccc32)C1
InChIInChI=1S/C19H20FN3O3/c20-14-1-2-17-13(9-14)3-4-23(17)19(25)11-15-10-16(24)12-18(21-15)22-5-7-26-8-6-22/h1-2,9,12H,3-8,10-11H2
InChIKeyDWFAOBWAVWLONI-UHFFFAOYSA-N
XLogP1.69
TPSA62.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-fluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-morpholin-4-yl-3H-pyridin-4-one?
The IUPAC name of 2-[2-(5-fluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-morpholin-4-yl-3H-pyridin-4-one (CID 147440937) is 2-[2-(5-fluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-morpholin-4-yl-3H-pyridin-4-one.
What is the SMILES notation for 2-[2-(5-fluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-morpholin-4-yl-3H-pyridin-4-one?
The canonical SMILES for 2-[2-(5-fluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-morpholin-4-yl-3H-pyridin-4-one is O=C1C=C(N2CCOCC2)N=C(CC(=O)N2CCc3cc(F)ccc32)C1.
What is the InChIKey of 2-[2-(5-fluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-morpholin-4-yl-3H-pyridin-4-one?
The InChIKey is DWFAOBWAVWLONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O3/c20-14-1-2-17-13(9-14)3-4-23(17)19(25)11-15-10-16(24)12-18(21-15)22-5-7-26-8-6-22/h1-2,9,12H,3-8,10-11H2.
What are the key properties of 2-[2-(5-fluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-morpholin-4-yl-3H-pyridin-4-one?
2-[2-(5-fluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-morpholin-4-yl-3H-pyridin-4-one has a molecular weight of 357.39 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-fluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-morpholin-4-yl-3H-pyridin-4-one is sourced from PubChem (CID 147440937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).