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

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

[1-(4-fluorophenyl)-3-oxopropan-2-yl] 1-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-5-oxo-6-phenylmethoxyimidazo[1,2-a]pyrimidine-7-carboxylate
CID 58127006
1-[3-Amino-1-(4-fluorophenyl)-2,3-dioxopropyl]-5-oxo-1-(2-oxo-2-piperidin-1-ylethyl)-6-phenylmethoxyimidazo[1,2-a]pyrimidin-1-ium-7-carboxylic acid
CID 87206143
[1-(4-fluorophenyl)-3-oxopropan-2-yl] 6-butoxy-1-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-5-oxoimidazo[1,2-a]pyrimidine-7-carboxylate
CID 88973526
6-Benzyloxy-1-methyl-2,5-dioxo-1,2,3,5-tetrahydroimidazo[1,2-a]pyrimidine-7-carboxylic acid
CID 18442519
Ethyl 3-benzyloxy-9-methyl-4,8-dioxo-6,7,8,9-tetrahydro-4h-pyrimido[1,2-a]pyrimidine-2-carboxylate
CID 18442526
Ethyl 6-benzyloxy-1-methyl-2,5-dioxo-1,2,3,5-tetrahydroimidazo[1,2-a]pyrimidine-7-carboxylate
CID 18442533
Ethyl 7-benzyloxy-1,2-dimethyl-3,6-dioxo-2,3,4,6-tetrahydro-1h-pyrimido[2,1-c][1,2,4]triazine-8-carboxylate
CID 18442536
Ethyl 2-(1,3-diethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-1-methyl-6-oxo-5-phenylmethoxypyrimidine-4-carboxylate
CID 21060039
Ethyl 2-(2-acetyl-2,8-diazaspiro[4.5]decan-8-yl)-1-methyl-6-oxo-5-phenylmethoxypyrimidine-4-carboxylate
CID 21060044
Ethyl 2-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)-1-methyl-6-oxo-5-phenylmethoxypyrimidine-4-carboxylate
CID 21060050
Ethyl 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-methyl-6-oxo-5-phenylmethoxypyrimidine-4-carboxylate
CID 21060052
Ethyl 2-(8-azaspiro[4.5]decan-8-yl)-1-methyl-6-oxo-5-phenylmethoxypyrimidine-4-carboxylate
CID 21060055

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).