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

C21H24FN3O3 — CID 161219072

IUPAC2-[2-(4-fluoro-3,3-dimethyl-2H-indol-1-yl)-2-oxoethyl]-6-morpholin-4-yl-3H-pyridin-4-one
SMILESCC1(C)CN(C(=O)CC2=NC(N3CCOCC3)=CC(=O)C2)c2cccc(F)c21
InChIInChI=1S/C21H24FN3O3/c1-21(2)13-25(17-5-3-4-16(22)20(17)21)19(27)11-14-10-15(26)12-18(23-14)24-6-8-28-9-7-24/h3-5,12H,6-11,13H2,1-2H3
InChIKeyUXGKXEXLIJAOID-UHFFFAOYSA-N
MW385.44 g/mol
LogP2.43
Rot. Bonds3

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

2-[2-(4-fluoro-3,3-dimethyl-2H-indol-1-yl)-2-oxoethyl]-6-morpholin-4-yl-3H-pyridin-4-one (PubChem CID 161219072) has the molecular formula C21H24FN3O3 and a molecular weight of 385.44 g/mol. Its IUPAC name is 2-[2-(4-fluoro-3,3-dimethyl-2H-indol-1-yl)-2-oxoethyl]-6-morpholin-4-yl-3H-pyridin-4-one.

Molecular Properties

Compound Name2-[2-(4-fluoro-3,3-dimethyl-2H-indol-1-yl)-2-oxoethyl]-6-morpholin-4-yl-3H-pyridin-4-one
PubChem CID161219072
Molecular FormulaC21H24FN3O3
Molecular Weight385.44 g/mol
Exact Mass385.18
IUPAC Name2-[2-(4-fluoro-3,3-dimethyl-2H-indol-1-yl)-2-oxoethyl]-6-morpholin-4-yl-3H-pyridin-4-one
SMILESCC1(C)CN(C(=O)CC2=NC(N3CCOCC3)=CC(=O)C2)c2cccc(F)c21
InChIInChI=1S/C21H24FN3O3/c1-21(2)13-25(17-5-3-4-16(22)20(17)21)19(27)11-14-10-15(26)12-18(23-14)24-6-8-28-9-7-24/h3-5,12H,6-11,13H2,1-2H3
InChIKeyUXGKXEXLIJAOID-UHFFFAOYSA-N
XLogP2.43
TPSA62.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluoro-3,3-dimethyl-2H-indol-1-yl)-2-oxoethyl]-6-morpholin-4-yl-3H-pyridin-4-one?
The IUPAC name of 2-[2-(4-fluoro-3,3-dimethyl-2H-indol-1-yl)-2-oxoethyl]-6-morpholin-4-yl-3H-pyridin-4-one (CID 161219072) is 2-[2-(4-fluoro-3,3-dimethyl-2H-indol-1-yl)-2-oxoethyl]-6-morpholin-4-yl-3H-pyridin-4-one.
What is the SMILES notation for 2-[2-(4-fluoro-3,3-dimethyl-2H-indol-1-yl)-2-oxoethyl]-6-morpholin-4-yl-3H-pyridin-4-one?
The canonical SMILES for 2-[2-(4-fluoro-3,3-dimethyl-2H-indol-1-yl)-2-oxoethyl]-6-morpholin-4-yl-3H-pyridin-4-one is CC1(C)CN(C(=O)CC2=NC(N3CCOCC3)=CC(=O)C2)c2cccc(F)c21.
What is the InChIKey of 2-[2-(4-fluoro-3,3-dimethyl-2H-indol-1-yl)-2-oxoethyl]-6-morpholin-4-yl-3H-pyridin-4-one?
The InChIKey is UXGKXEXLIJAOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O3/c1-21(2)13-25(17-5-3-4-16(22)20(17)21)19(27)11-14-10-15(26)12-18(23-14)24-6-8-28-9-7-24/h3-5,12H,6-11,13H2,1-2H3.
What are the key properties of 2-[2-(4-fluoro-3,3-dimethyl-2H-indol-1-yl)-2-oxoethyl]-6-morpholin-4-yl-3H-pyridin-4-one?
2-[2-(4-fluoro-3,3-dimethyl-2H-indol-1-yl)-2-oxoethyl]-6-morpholin-4-yl-3H-pyridin-4-one has a molecular weight of 385.44 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluoro-3,3-dimethyl-2H-indol-1-yl)-2-oxoethyl]-6-morpholin-4-yl-3H-pyridin-4-one is sourced from PubChem (CID 161219072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).