5-oxo-1-(2-oxo-2-piperidin-1-ylethyl)-6-phenylmethoxyimidazo[1,2-a]pyrimidine-7-carboxylic acid

C21H22N4O5 — CID 58126863

IUPAC5-oxo-1-(2-oxo-2-piperidin-1-ylethyl)-6-phenylmethoxyimidazo[1,2-a]pyrimidine-7-carboxylic acid
SMILESO=C(O)c1nc2n(CC(=O)N3CCCCC3)ccn2c(=O)c1OCc1ccccc1
InChIInChI=1S/C21H22N4O5/c26-16(23-9-5-2-6-10-23)13-24-11-12-25-19(27)18(17(20(28)29)22-21(24)25)30-14-15-7-3-1-4-8-15/h1,3-4,7-8,11-12H,2,5-6,9-10,13-14H2,(H,28,29)
InChIKeyXZLHDJFTPJFACZ-UHFFFAOYSA-N
MW410.43 g/mol
LogP1.79
Rot. Bonds6

About 5-oxo-1-(2-oxo-2-piperidin-1-ylethyl)-6-phenylmethoxyimidazo[1,2-a]pyrimidine-7-carboxylic acid

5-oxo-1-(2-oxo-2-piperidin-1-ylethyl)-6-phenylmethoxyimidazo[1,2-a]pyrimidine-7-carboxylic acid (PubChem CID 58126863) has the molecular formula C21H22N4O5 and a molecular weight of 410.43 g/mol. Its IUPAC name is 5-oxo-1-(2-oxo-2-piperidin-1-ylethyl)-6-phenylmethoxyimidazo[1,2-a]pyrimidine-7-carboxylic acid.

Molecular Properties

Compound Name5-oxo-1-(2-oxo-2-piperidin-1-ylethyl)-6-phenylmethoxyimidazo[1,2-a]pyrimidine-7-carboxylic acid
PubChem CID58126863
Molecular FormulaC21H22N4O5
Molecular Weight410.43 g/mol
Exact Mass410.16
IUPAC Name5-oxo-1-(2-oxo-2-piperidin-1-ylethyl)-6-phenylmethoxyimidazo[1,2-a]pyrimidine-7-carboxylic acid
SMILESO=C(O)c1nc2n(CC(=O)N3CCCCC3)ccn2c(=O)c1OCc1ccccc1
InChIInChI=1S/C21H22N4O5/c26-16(23-9-5-2-6-10-23)13-24-11-12-25-19(27)18(17(20(28)29)22-21(24)25)30-14-15-7-3-1-4-8-15/h1,3-4,7-8,11-12H,2,5-6,9-10,13-14H2,(H,28,29)
InChIKeyXZLHDJFTPJFACZ-UHFFFAOYSA-N
XLogP1.79
TPSA106.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-(2-oxo-2-piperidin-1-ylethyl)-6-phenylmethoxyimidazo[1,2-a]pyrimidine-7-carboxylic acid?
The IUPAC name of 5-oxo-1-(2-oxo-2-piperidin-1-ylethyl)-6-phenylmethoxyimidazo[1,2-a]pyrimidine-7-carboxylic acid (CID 58126863) is 5-oxo-1-(2-oxo-2-piperidin-1-ylethyl)-6-phenylmethoxyimidazo[1,2-a]pyrimidine-7-carboxylic acid.
What is the SMILES notation for 5-oxo-1-(2-oxo-2-piperidin-1-ylethyl)-6-phenylmethoxyimidazo[1,2-a]pyrimidine-7-carboxylic acid?
The canonical SMILES for 5-oxo-1-(2-oxo-2-piperidin-1-ylethyl)-6-phenylmethoxyimidazo[1,2-a]pyrimidine-7-carboxylic acid is O=C(O)c1nc2n(CC(=O)N3CCCCC3)ccn2c(=O)c1OCc1ccccc1.
What is the InChIKey of 5-oxo-1-(2-oxo-2-piperidin-1-ylethyl)-6-phenylmethoxyimidazo[1,2-a]pyrimidine-7-carboxylic acid?
The InChIKey is XZLHDJFTPJFACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O5/c26-16(23-9-5-2-6-10-23)13-24-11-12-25-19(27)18(17(20(28)29)22-21(24)25)30-14-15-7-3-1-4-8-15/h1,3-4,7-8,11-12H,2,5-6,9-10,13-14H2,(H,28,29).
What are the key properties of 5-oxo-1-(2-oxo-2-piperidin-1-ylethyl)-6-phenylmethoxyimidazo[1,2-a]pyrimidine-7-carboxylic acid?
5-oxo-1-(2-oxo-2-piperidin-1-ylethyl)-6-phenylmethoxyimidazo[1,2-a]pyrimidine-7-carboxylic acid has a molecular weight of 410.43 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-(2-oxo-2-piperidin-1-ylethyl)-6-phenylmethoxyimidazo[1,2-a]pyrimidine-7-carboxylic acid is sourced from PubChem (CID 58126863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).