2-ethyl-5-[2-(3-fluorophenoxy)pyrimidin-4-yl]-4-(4-fluorophenyl)-1-morpholin-4-ylpyrazol-3-one

C25H23F2N5O3 — CID 10195605

IUPAC2-ethyl-5-[2-(3-fluorophenoxy)pyrimidin-4-yl]-4-(4-fluorophenyl)-1-morpholin-4-ylpyrazol-3-one
SMILESCCn1c(=O)c(-c2ccc(F)cc2)c(-c2ccnc(Oc3cccc(F)c3)n2)n1N1CCOCC1
InChIInChI=1S/C25H23F2N5O3/c1-2-31-24(33)22(17-6-8-18(26)9-7-17)23(32(31)30-12-14-34-15-13-30)21-10-11-28-25(29-21)35-20-5-3-4-19(27)16-20/h3-11,16H,2,12-15H2,1H3
InChIKeyBLFYLEGJPYAYPE-UHFFFAOYSA-N
MW479.49 g/mol
LogP3.83
Rot. Bonds6

About 2-ethyl-5-[2-(3-fluorophenoxy)pyrimidin-4-yl]-4-(4-fluorophenyl)-1-morpholin-4-ylpyrazol-3-one

2-ethyl-5-[2-(3-fluorophenoxy)pyrimidin-4-yl]-4-(4-fluorophenyl)-1-morpholin-4-ylpyrazol-3-one (PubChem CID 10195605) has the molecular formula C25H23F2N5O3 and a molecular weight of 479.49 g/mol. Its IUPAC name is 2-ethyl-5-[2-(3-fluorophenoxy)pyrimidin-4-yl]-4-(4-fluorophenyl)-1-morpholin-4-ylpyrazol-3-one.

Molecular Properties

Compound Name2-ethyl-5-[2-(3-fluorophenoxy)pyrimidin-4-yl]-4-(4-fluorophenyl)-1-morpholin-4-ylpyrazol-3-one
PubChem CID10195605
Molecular FormulaC25H23F2N5O3
Molecular Weight479.49 g/mol
Exact Mass479.18
IUPAC Name2-ethyl-5-[2-(3-fluorophenoxy)pyrimidin-4-yl]-4-(4-fluorophenyl)-1-morpholin-4-ylpyrazol-3-one
SMILESCCn1c(=O)c(-c2ccc(F)cc2)c(-c2ccnc(Oc3cccc(F)c3)n2)n1N1CCOCC1
InChIInChI=1S/C25H23F2N5O3/c1-2-31-24(33)22(17-6-8-18(26)9-7-17)23(32(31)30-12-14-34-15-13-30)21-10-11-28-25(29-21)35-20-5-3-4-19(27)16-20/h3-11,16H,2,12-15H2,1H3
InChIKeyBLFYLEGJPYAYPE-UHFFFAOYSA-N
XLogP3.83
TPSA74.41 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.49
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

Mppf F-18
CID 449646
4-Fluoro-N-(2-(4-(2-methoxyphenyl)-1-piperazinyl)ethyl)-N-2-pyridinylbenzamide
CID 6603915
p-(18F)MPPF
CID 5352127
CID 56589672
CID 56589672
2-[(2S)-2-(4-fluoro-2-methoxyphenyl)morpholin-4-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one
CID 57798425
[4,4-Bipyrimidin]-6(1h)-one, 2-[(2s)-2-(2-methoxyphenyl)-4-morpholinyl]-1-methyl-
CID 57798492
4-(4-Fluorophenyl)-1,2-dimethyl-5-(2-phenoxypyrimidin-4-yl)-1,2-dihydropyrazol-3-one
CID 10150429
[4-(4-Fluoro-phenyl)-5-oxo-3-(2-phenoxy-pyrimidin-4-yl)-5H-isoxazol-2-yl]-acetaldehyde
CID 10200452
2'-(4-Fluorophenyl)-1'-(2-phenoxypyrimidin-4-yl)spiro[1,3-dioxolane-2,6'-5,7-dihydropyrazolo[1,2-a]pyrazole]-3'-one
CID 10225585
2-(Ethoxymethyl)-4-(4-fluorophenyl)-3-(2-phenoxypyrimidin-4-yl)-1,2-oxazol-5-one
CID 10272768
2'-(4-Fluorophenyl)-1'-(2-phenoxypyrimidin-4-yl)spiro[1,3-dioxane-2,6'-5,7-dihydropyrazolo[1,2-a]pyrazole]-3'-one
CID 10298242
p-MPPF dihydrochloride
CID 11957633

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[2-(3-fluorophenoxy)pyrimidin-4-yl]-4-(4-fluorophenyl)-1-morpholin-4-ylpyrazol-3-one?
The IUPAC name of 2-ethyl-5-[2-(3-fluorophenoxy)pyrimidin-4-yl]-4-(4-fluorophenyl)-1-morpholin-4-ylpyrazol-3-one (CID 10195605) is 2-ethyl-5-[2-(3-fluorophenoxy)pyrimidin-4-yl]-4-(4-fluorophenyl)-1-morpholin-4-ylpyrazol-3-one.
What is the SMILES notation for 2-ethyl-5-[2-(3-fluorophenoxy)pyrimidin-4-yl]-4-(4-fluorophenyl)-1-morpholin-4-ylpyrazol-3-one?
The canonical SMILES for 2-ethyl-5-[2-(3-fluorophenoxy)pyrimidin-4-yl]-4-(4-fluorophenyl)-1-morpholin-4-ylpyrazol-3-one is CCn1c(=O)c(-c2ccc(F)cc2)c(-c2ccnc(Oc3cccc(F)c3)n2)n1N1CCOCC1.
What is the InChIKey of 2-ethyl-5-[2-(3-fluorophenoxy)pyrimidin-4-yl]-4-(4-fluorophenyl)-1-morpholin-4-ylpyrazol-3-one?
The InChIKey is BLFYLEGJPYAYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F2N5O3/c1-2-31-24(33)22(17-6-8-18(26)9-7-17)23(32(31)30-12-14-34-15-13-30)21-10-11-28-25(29-21)35-20-5-3-4-19(27)16-20/h3-11,16H,2,12-15H2,1H3.
What are the key properties of 2-ethyl-5-[2-(3-fluorophenoxy)pyrimidin-4-yl]-4-(4-fluorophenyl)-1-morpholin-4-ylpyrazol-3-one?
2-ethyl-5-[2-(3-fluorophenoxy)pyrimidin-4-yl]-4-(4-fluorophenyl)-1-morpholin-4-ylpyrazol-3-one has a molecular weight of 479.49 g/mol, XLogP of 3.83, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[2-(3-fluorophenoxy)pyrimidin-4-yl]-4-(4-fluorophenyl)-1-morpholin-4-ylpyrazol-3-one is sourced from PubChem (CID 10195605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).