3-morpholin-4-yl-2-[2-oxo-2-[4-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethyl]pyrimidin-4-one

C19H19F3N4O4 — CID 158340510

IUPAC3-morpholin-4-yl-2-[2-oxo-2-[4-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethyl]pyrimidin-4-one
SMILESO=C(Cc1nccc(=O)n1N1CCOCC1)N1CCc2c(OC(F)(F)F)cccc21
InChIInChI=1S/C19H19F3N4O4/c20-19(21,22)30-15-3-1-2-14-13(15)5-7-25(14)18(28)12-16-23-6-4-17(27)26(16)24-8-10-29-11-9-24/h1-4,6H,5,7-12H2
InChIKeyGRCJLWYLEJGUCQ-UHFFFAOYSA-N
MW424.38 g/mol
LogP1.24
Rot. Bonds4

About 3-morpholin-4-yl-2-[2-oxo-2-[4-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethyl]pyrimidin-4-one

3-morpholin-4-yl-2-[2-oxo-2-[4-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethyl]pyrimidin-4-one (PubChem CID 158340510) has the molecular formula C19H19F3N4O4 and a molecular weight of 424.38 g/mol. Its IUPAC name is 3-morpholin-4-yl-2-[2-oxo-2-[4-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name3-morpholin-4-yl-2-[2-oxo-2-[4-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethyl]pyrimidin-4-one
PubChem CID158340510
Molecular FormulaC19H19F3N4O4
Molecular Weight424.38 g/mol
Exact Mass424.14
IUPAC Name3-morpholin-4-yl-2-[2-oxo-2-[4-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethyl]pyrimidin-4-one
SMILESO=C(Cc1nccc(=O)n1N1CCOCC1)N1CCc2c(OC(F)(F)F)cccc21
InChIInChI=1S/C19H19F3N4O4/c20-19(21,22)30-15-3-1-2-14-13(15)5-7-25(14)18(28)12-16-23-6-4-17(27)26(16)24-8-10-29-11-9-24/h1-4,6H,5,7-12H2
InChIKeyGRCJLWYLEJGUCQ-UHFFFAOYSA-N
XLogP1.24
TPSA76.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.38
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-fluoro-2,3-dihydroindol-1-yl)-2-(1-methyl-4-morpholin-4-yl-6-sulfanylidenepyrimidin-2-yl)ethanone
CID 86699292
ethane;4-[[2-methyl-3-(trifluoromethoxy)phenyl]methyl]morpholine
CID 156721917
1-(4,6-difluoro-2,3-dihydroindol-1-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone
CID 112834091
2-[(1-pentanoyl-2,3-dihydroindol-4-yl)oxy]acetic acid
CID 59281726
(E)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-[2-(trifluoromethoxy)phenyl]prop-2-enamide
CID 39568621
N-[[2-(trifluoromethoxy)phenyl]methyl]morpholin-4-amine
CID 83009114
3-(2-morpholin-4-ylethyl)-2,4-dioxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-1H-pyrimidine-6-carboxamide
CID 70833572
5-(2-morpholin-4-yl-2-oxoethoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 65456337
2-ethoxy-1-[4-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone
CID 84600007
1-(4-amino-2,3-dihydroindol-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 103205691
1-(4-methoxy-2,3-dihydroindol-1-yl)-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]ethanone
CID 171483105
1-(2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-3,3,3-trifluoropropan-1-one
CID 166223828

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-2-[2-oxo-2-[4-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethyl]pyrimidin-4-one?
The IUPAC name of 3-morpholin-4-yl-2-[2-oxo-2-[4-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethyl]pyrimidin-4-one (CID 158340510) is 3-morpholin-4-yl-2-[2-oxo-2-[4-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethyl]pyrimidin-4-one.
What is the SMILES notation for 3-morpholin-4-yl-2-[2-oxo-2-[4-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethyl]pyrimidin-4-one?
The canonical SMILES for 3-morpholin-4-yl-2-[2-oxo-2-[4-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethyl]pyrimidin-4-one is O=C(Cc1nccc(=O)n1N1CCOCC1)N1CCc2c(OC(F)(F)F)cccc21.
What is the InChIKey of 3-morpholin-4-yl-2-[2-oxo-2-[4-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethyl]pyrimidin-4-one?
The InChIKey is GRCJLWYLEJGUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O4/c20-19(21,22)30-15-3-1-2-14-13(15)5-7-25(14)18(28)12-16-23-6-4-17(27)26(16)24-8-10-29-11-9-24/h1-4,6H,5,7-12H2.
What are the key properties of 3-morpholin-4-yl-2-[2-oxo-2-[4-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethyl]pyrimidin-4-one?
3-morpholin-4-yl-2-[2-oxo-2-[4-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethyl]pyrimidin-4-one has a molecular weight of 424.38 g/mol, XLogP of 1.24, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-2-[2-oxo-2-[4-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethyl]pyrimidin-4-one is sourced from PubChem (CID 158340510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).