5-[(4-fluorophenyl)methoxy]-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyran-4-one

C21H19FN4O4 — CID 42227291

IUPAC5-[(4-fluorophenyl)methoxy]-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyran-4-one
SMILESO=C(c1cc(=O)c(OCc2ccc(F)cc2)co1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C21H19FN4O4/c22-16-4-2-15(3-5-16)13-29-19-14-30-18(12-17(19)27)20(28)25-8-10-26(11-9-25)21-23-6-1-7-24-21/h1-7,12,14H,8-11,13H2
InChIKeyBXHVQGVNSRCBPO-UHFFFAOYSA-N
MW410.41 g/mol
LogP2.11
Rot. Bonds5

About 5-[(4-fluorophenyl)methoxy]-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyran-4-one

5-[(4-fluorophenyl)methoxy]-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyran-4-one (PubChem CID 42227291) has the molecular formula C21H19FN4O4 and a molecular weight of 410.41 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methoxy]-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyran-4-one.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methoxy]-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyran-4-one
PubChem CID42227291
Molecular FormulaC21H19FN4O4
Molecular Weight410.41 g/mol
Exact Mass410.14
IUPAC Name5-[(4-fluorophenyl)methoxy]-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyran-4-one
SMILESO=C(c1cc(=O)c(OCc2ccc(F)cc2)co1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C21H19FN4O4/c22-16-4-2-15(3-5-16)13-29-19-14-30-18(12-17(19)27)20(28)25-8-10-26(11-9-25)21-23-6-1-7-24-21/h1-7,12,14H,8-11,13H2
InChIKeyBXHVQGVNSRCBPO-UHFFFAOYSA-N
XLogP2.11
TPSA88.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.41
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methoxy]-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyran-4-one?
The IUPAC name of 5-[(4-fluorophenyl)methoxy]-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyran-4-one (CID 42227291) is 5-[(4-fluorophenyl)methoxy]-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyran-4-one.
What is the SMILES notation for 5-[(4-fluorophenyl)methoxy]-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyran-4-one?
The canonical SMILES for 5-[(4-fluorophenyl)methoxy]-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyran-4-one is O=C(c1cc(=O)c(OCc2ccc(F)cc2)co1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of 5-[(4-fluorophenyl)methoxy]-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyran-4-one?
The InChIKey is BXHVQGVNSRCBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O4/c22-16-4-2-15(3-5-16)13-29-19-14-30-18(12-17(19)27)20(28)25-8-10-26(11-9-25)21-23-6-1-7-24-21/h1-7,12,14H,8-11,13H2.
What are the key properties of 5-[(4-fluorophenyl)methoxy]-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyran-4-one?
5-[(4-fluorophenyl)methoxy]-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyran-4-one has a molecular weight of 410.41 g/mol, XLogP of 2.11, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methoxy]-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyran-4-one is sourced from PubChem (CID 42227291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).