4-[4-(4-fluorophenoxy)pyrimidin-2-yl]-1-(1-methylpyrazol-4-yl)piperazin-2-one

C18H17FN6O2 — CID 133336871

IUPAC4-[4-(4-fluorophenoxy)pyrimidin-2-yl]-1-(1-methylpyrazol-4-yl)piperazin-2-one
SMILESCn1cc(N2CCN(c3nccc(Oc4ccc(F)cc4)n3)CC2=O)cn1
InChIInChI=1S/C18H17FN6O2/c1-23-11-14(10-21-23)25-9-8-24(12-17(25)26)18-20-7-6-16(22-18)27-15-4-2-13(19)3-5-15/h2-7,10-11H,8-9,12H2,1H3
InChIKeyQSLZJVBKOVWWGD-UHFFFAOYSA-N
MW368.37 g/mol
LogP1.99
Rot. Bonds4

About 4-[4-(4-fluorophenoxy)pyrimidin-2-yl]-1-(1-methylpyrazol-4-yl)piperazin-2-one

4-[4-(4-fluorophenoxy)pyrimidin-2-yl]-1-(1-methylpyrazol-4-yl)piperazin-2-one (PubChem CID 133336871) has the molecular formula C18H17FN6O2 and a molecular weight of 368.37 g/mol. Its IUPAC name is 4-[4-(4-fluorophenoxy)pyrimidin-2-yl]-1-(1-methylpyrazol-4-yl)piperazin-2-one.

Molecular Properties

Compound Name4-[4-(4-fluorophenoxy)pyrimidin-2-yl]-1-(1-methylpyrazol-4-yl)piperazin-2-one
PubChem CID133336871
Molecular FormulaC18H17FN6O2
Molecular Weight368.37 g/mol
Exact Mass368.14
IUPAC Name4-[4-(4-fluorophenoxy)pyrimidin-2-yl]-1-(1-methylpyrazol-4-yl)piperazin-2-one
SMILESCn1cc(N2CCN(c3nccc(Oc4ccc(F)cc4)n3)CC2=O)cn1
InChIInChI=1S/C18H17FN6O2/c1-23-11-14(10-21-23)25-9-8-24(12-17(25)26)18-20-7-6-16(22-18)27-15-4-2-13(19)3-5-15/h2-7,10-11H,8-9,12H2,1H3
InChIKeyQSLZJVBKOVWWGD-UHFFFAOYSA-N
XLogP1.99
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.37
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[4-(4-fluorophenoxy)pyrimidin-2-yl]-1-(1-methylpyrazol-4-yl)piperazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4,6-dimethylpyrimidin-2-yl)-1-(1-methylpyrazol-4-yl)piperazin-2-one
CID 71976819
1-(1-methylpyrazol-4-yl)-4-(2-methyl-4-pyridinyl)piperazin-2-one
CID 133490452
4-[4-(2-fluorophenyl)-5-methylpyrimidin-2-yl]-1-(1-methylpyrazol-4-yl)piperazin-2-one
CID 166183140
4-(4-fluorophenoxy)-2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]pyrimidine
CID 56556990
4-(4-methoxypyrimidin-2-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]piperazin-2-one
CID 139028770
1-[4-[4-(4-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 56554199
1-[4-(4-fluorophenoxy)pyrimidin-2-yl]-4-methylazepane
CID 56574045
4-(4-fluorophenoxy)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidine
CID 56575886
4-(4-fluorophenoxy)-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]pyrimidine
CID 133315639
(4-ethylphenyl)-[4-[4-(4-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]methanone
CID 56575190
3-[2-[4-(4-fluorophenoxy)pyrimidin-2-yl]-3,4-dihydro-1H-isoquinolin-5-yl]-1,3-oxazolidin-2-one
CID 133325225
1-adamantyl-[4-[4-(4-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]methanone
CID 56575339

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluorophenoxy)pyrimidin-2-yl]-1-(1-methylpyrazol-4-yl)piperazin-2-one?
The IUPAC name of 4-[4-(4-fluorophenoxy)pyrimidin-2-yl]-1-(1-methylpyrazol-4-yl)piperazin-2-one (CID 133336871) is 4-[4-(4-fluorophenoxy)pyrimidin-2-yl]-1-(1-methylpyrazol-4-yl)piperazin-2-one.
What is the SMILES notation for 4-[4-(4-fluorophenoxy)pyrimidin-2-yl]-1-(1-methylpyrazol-4-yl)piperazin-2-one?
The canonical SMILES for 4-[4-(4-fluorophenoxy)pyrimidin-2-yl]-1-(1-methylpyrazol-4-yl)piperazin-2-one is Cn1cc(N2CCN(c3nccc(Oc4ccc(F)cc4)n3)CC2=O)cn1.
What is the InChIKey of 4-[4-(4-fluorophenoxy)pyrimidin-2-yl]-1-(1-methylpyrazol-4-yl)piperazin-2-one?
The InChIKey is QSLZJVBKOVWWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN6O2/c1-23-11-14(10-21-23)25-9-8-24(12-17(25)26)18-20-7-6-16(22-18)27-15-4-2-13(19)3-5-15/h2-7,10-11H,8-9,12H2,1H3.
What are the key properties of 4-[4-(4-fluorophenoxy)pyrimidin-2-yl]-1-(1-methylpyrazol-4-yl)piperazin-2-one?
4-[4-(4-fluorophenoxy)pyrimidin-2-yl]-1-(1-methylpyrazol-4-yl)piperazin-2-one has a molecular weight of 368.37 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluorophenoxy)pyrimidin-2-yl]-1-(1-methylpyrazol-4-yl)piperazin-2-one is sourced from PubChem (CID 133336871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).