4-[4-(2-fluorophenyl)-5-methylpyrimidin-2-yl]-1-(1-methylpyrazol-4-yl)piperazin-2-one

C19H19FN6O — CID 166183140

IUPAC4-[4-(2-fluorophenyl)-5-methylpyrimidin-2-yl]-1-(1-methylpyrazol-4-yl)piperazin-2-one
SMILESCc1cnc(N2CCN(c3cnn(C)c3)C(=O)C2)nc1-c1ccccc1F
InChIInChI=1S/C19H19FN6O/c1-13-9-21-19(23-18(13)15-5-3-4-6-16(15)20)25-7-8-26(17(27)12-25)14-10-22-24(2)11-14/h3-6,9-11H,7-8,12H2,1-2H3
InChIKeyQWWSGJCWQLRKQZ-UHFFFAOYSA-N
MW366.40 g/mol
LogP2.18
Rot. Bonds3

About 4-[4-(2-fluorophenyl)-5-methylpyrimidin-2-yl]-1-(1-methylpyrazol-4-yl)piperazin-2-one

4-[4-(2-fluorophenyl)-5-methylpyrimidin-2-yl]-1-(1-methylpyrazol-4-yl)piperazin-2-one (PubChem CID 166183140) has the molecular formula C19H19FN6O and a molecular weight of 366.40 g/mol. Its IUPAC name is 4-[4-(2-fluorophenyl)-5-methylpyrimidin-2-yl]-1-(1-methylpyrazol-4-yl)piperazin-2-one.

Molecular Properties

Compound Name4-[4-(2-fluorophenyl)-5-methylpyrimidin-2-yl]-1-(1-methylpyrazol-4-yl)piperazin-2-one
PubChem CID166183140
Molecular FormulaC19H19FN6O
Molecular Weight366.40 g/mol
Exact Mass366.16
IUPAC Name4-[4-(2-fluorophenyl)-5-methylpyrimidin-2-yl]-1-(1-methylpyrazol-4-yl)piperazin-2-one
SMILESCc1cnc(N2CCN(c3cnn(C)c3)C(=O)C2)nc1-c1ccccc1F
InChIInChI=1S/C19H19FN6O/c1-13-9-21-19(23-18(13)15-5-3-4-6-16(15)20)25-7-8-26(17(27)12-25)14-10-22-24(2)11-14/h3-6,9-11H,7-8,12H2,1-2H3
InChIKeyQWWSGJCWQLRKQZ-UHFFFAOYSA-N
XLogP2.18
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-fluorophenyl)-5-methylpyrimidin-2-yl]-1-(1-methylpyrazol-4-yl)piperazin-2-one?
The IUPAC name of 4-[4-(2-fluorophenyl)-5-methylpyrimidin-2-yl]-1-(1-methylpyrazol-4-yl)piperazin-2-one (CID 166183140) is 4-[4-(2-fluorophenyl)-5-methylpyrimidin-2-yl]-1-(1-methylpyrazol-4-yl)piperazin-2-one.
What is the SMILES notation for 4-[4-(2-fluorophenyl)-5-methylpyrimidin-2-yl]-1-(1-methylpyrazol-4-yl)piperazin-2-one?
The canonical SMILES for 4-[4-(2-fluorophenyl)-5-methylpyrimidin-2-yl]-1-(1-methylpyrazol-4-yl)piperazin-2-one is Cc1cnc(N2CCN(c3cnn(C)c3)C(=O)C2)nc1-c1ccccc1F.
What is the InChIKey of 4-[4-(2-fluorophenyl)-5-methylpyrimidin-2-yl]-1-(1-methylpyrazol-4-yl)piperazin-2-one?
The InChIKey is QWWSGJCWQLRKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN6O/c1-13-9-21-19(23-18(13)15-5-3-4-6-16(15)20)25-7-8-26(17(27)12-25)14-10-22-24(2)11-14/h3-6,9-11H,7-8,12H2,1-2H3.
What are the key properties of 4-[4-(2-fluorophenyl)-5-methylpyrimidin-2-yl]-1-(1-methylpyrazol-4-yl)piperazin-2-one?
4-[4-(2-fluorophenyl)-5-methylpyrimidin-2-yl]-1-(1-methylpyrazol-4-yl)piperazin-2-one has a molecular weight of 366.40 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-fluorophenyl)-5-methylpyrimidin-2-yl]-1-(1-methylpyrazol-4-yl)piperazin-2-one is sourced from PubChem (CID 166183140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).