2-[4-[[3-(4-fluorophenyl)-2-oxoimidazol-1-yl]methyl]piperidin-1-yl]pyrimidine-5-carboxylic acid

C20H20FN5O3 — CID 59376218

IUPAC2-[4-[[3-(4-fluorophenyl)-2-oxoimidazol-1-yl]methyl]piperidin-1-yl]pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(N2CCC(Cn3ccn(-c4ccc(F)cc4)c3=O)CC2)nc1
InChIInChI=1S/C20H20FN5O3/c21-16-1-3-17(4-2-16)26-10-9-25(20(26)29)13-14-5-7-24(8-6-14)19-22-11-15(12-23-19)18(27)28/h1-4,9-12,14H,5-8,13H2,(H,27,28)
InChIKeyUCRHOLZOVWIGPA-UHFFFAOYSA-N
MW397.41 g/mol
LogP2.18
Rot. Bonds5

About 2-[4-[[3-(4-fluorophenyl)-2-oxoimidazol-1-yl]methyl]piperidin-1-yl]pyrimidine-5-carboxylic acid

2-[4-[[3-(4-fluorophenyl)-2-oxoimidazol-1-yl]methyl]piperidin-1-yl]pyrimidine-5-carboxylic acid (PubChem CID 59376218) has the molecular formula C20H20FN5O3 and a molecular weight of 397.41 g/mol. Its IUPAC name is 2-[4-[[3-(4-fluorophenyl)-2-oxoimidazol-1-yl]methyl]piperidin-1-yl]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-[4-[[3-(4-fluorophenyl)-2-oxoimidazol-1-yl]methyl]piperidin-1-yl]pyrimidine-5-carboxylic acid
PubChem CID59376218
Molecular FormulaC20H20FN5O3
Molecular Weight397.41 g/mol
Exact Mass397.16
IUPAC Name2-[4-[[3-(4-fluorophenyl)-2-oxoimidazol-1-yl]methyl]piperidin-1-yl]pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(N2CCC(Cn3ccn(-c4ccc(F)cc4)c3=O)CC2)nc1
InChIInChI=1S/C20H20FN5O3/c21-16-1-3-17(4-2-16)26-10-9-25(20(26)29)13-14-5-7-24(8-6-14)19-22-11-15(12-23-19)18(27)28/h1-4,9-12,14H,5-8,13H2,(H,27,28)
InChIKeyUCRHOLZOVWIGPA-UHFFFAOYSA-N
XLogP2.18
TPSA93.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.41
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[3-(4-fluorophenyl)-2-oxoimidazol-1-yl]methyl]piperidin-1-yl]pyrimidine-5-carboxylic acid?
The IUPAC name of 2-[4-[[3-(4-fluorophenyl)-2-oxoimidazol-1-yl]methyl]piperidin-1-yl]pyrimidine-5-carboxylic acid (CID 59376218) is 2-[4-[[3-(4-fluorophenyl)-2-oxoimidazol-1-yl]methyl]piperidin-1-yl]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-[4-[[3-(4-fluorophenyl)-2-oxoimidazol-1-yl]methyl]piperidin-1-yl]pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-[4-[[3-(4-fluorophenyl)-2-oxoimidazol-1-yl]methyl]piperidin-1-yl]pyrimidine-5-carboxylic acid is O=C(O)c1cnc(N2CCC(Cn3ccn(-c4ccc(F)cc4)c3=O)CC2)nc1.
What is the InChIKey of 2-[4-[[3-(4-fluorophenyl)-2-oxoimidazol-1-yl]methyl]piperidin-1-yl]pyrimidine-5-carboxylic acid?
The InChIKey is UCRHOLZOVWIGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O3/c21-16-1-3-17(4-2-16)26-10-9-25(20(26)29)13-14-5-7-24(8-6-14)19-22-11-15(12-23-19)18(27)28/h1-4,9-12,14H,5-8,13H2,(H,27,28).
What are the key properties of 2-[4-[[3-(4-fluorophenyl)-2-oxoimidazol-1-yl]methyl]piperidin-1-yl]pyrimidine-5-carboxylic acid?
2-[4-[[3-(4-fluorophenyl)-2-oxoimidazol-1-yl]methyl]piperidin-1-yl]pyrimidine-5-carboxylic acid has a molecular weight of 397.41 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[3-(4-fluorophenyl)-2-oxoimidazol-1-yl]methyl]piperidin-1-yl]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 59376218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).