1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5-oxo-6-phenylmethoxyimidazo[1,2-a]pyrimidine-7-carboxylic acid

C22H24N4O5 — CID 58126984

IUPAC1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5-oxo-6-phenylmethoxyimidazo[1,2-a]pyrimidine-7-carboxylic acid
SMILESCC1CCN(C(=O)Cn2ccn3c(=O)c(OCc4ccccc4)c(C(=O)O)nc23)CC1
InChIInChI=1S/C22H24N4O5/c1-15-7-9-24(10-8-15)17(27)13-25-11-12-26-20(28)19(18(21(29)30)23-22(25)26)31-14-16-5-3-2-4-6-16/h2-6,11-12,15H,7-10,13-14H2,1H3,(H,29,30)
InChIKeyOKDQEYOLCCWJGN-UHFFFAOYSA-N
MW424.46 g/mol
LogP2.03
Rot. Bonds6

About 1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5-oxo-6-phenylmethoxyimidazo[1,2-a]pyrimidine-7-carboxylic acid

1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5-oxo-6-phenylmethoxyimidazo[1,2-a]pyrimidine-7-carboxylic acid (PubChem CID 58126984) has the molecular formula C22H24N4O5 and a molecular weight of 424.46 g/mol. Its IUPAC name is 1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5-oxo-6-phenylmethoxyimidazo[1,2-a]pyrimidine-7-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5-oxo-6-phenylmethoxyimidazo[1,2-a]pyrimidine-7-carboxylic acid
PubChem CID58126984
Molecular FormulaC22H24N4O5
Molecular Weight424.46 g/mol
Exact Mass424.17
IUPAC Name1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5-oxo-6-phenylmethoxyimidazo[1,2-a]pyrimidine-7-carboxylic acid
SMILESCC1CCN(C(=O)Cn2ccn3c(=O)c(OCc4ccccc4)c(C(=O)O)nc23)CC1
InChIInChI=1S/C22H24N4O5/c1-15-7-9-24(10-8-15)17(27)13-25-11-12-26-20(28)19(18(21(29)30)23-22(25)26)31-14-16-5-3-2-4-6-16/h2-6,11-12,15H,7-10,13-14H2,1H3,(H,29,30)
InChIKeyOKDQEYOLCCWJGN-UHFFFAOYSA-N
XLogP2.03
TPSA106.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5-oxo-6-phenylmethoxyimidazo[1,2-a]pyrimidine-7-carboxylic acid with MolForge

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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-(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
Ethyl 1-methyl-2-(1-oxa-8-azaspiro[4.5]decan-8-yl)-6-oxo-5-phenylmethoxypyrimidine-4-carboxylate
CID 21060057

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5-oxo-6-phenylmethoxyimidazo[1,2-a]pyrimidine-7-carboxylic acid?
The IUPAC name of 1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5-oxo-6-phenylmethoxyimidazo[1,2-a]pyrimidine-7-carboxylic acid (CID 58126984) is 1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5-oxo-6-phenylmethoxyimidazo[1,2-a]pyrimidine-7-carboxylic acid.
What is the SMILES notation for 1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5-oxo-6-phenylmethoxyimidazo[1,2-a]pyrimidine-7-carboxylic acid?
The canonical SMILES for 1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5-oxo-6-phenylmethoxyimidazo[1,2-a]pyrimidine-7-carboxylic acid is CC1CCN(C(=O)Cn2ccn3c(=O)c(OCc4ccccc4)c(C(=O)O)nc23)CC1.
What is the InChIKey of 1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5-oxo-6-phenylmethoxyimidazo[1,2-a]pyrimidine-7-carboxylic acid?
The InChIKey is OKDQEYOLCCWJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O5/c1-15-7-9-24(10-8-15)17(27)13-25-11-12-26-20(28)19(18(21(29)30)23-22(25)26)31-14-16-5-3-2-4-6-16/h2-6,11-12,15H,7-10,13-14H2,1H3,(H,29,30).
What are the key properties of 1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5-oxo-6-phenylmethoxyimidazo[1,2-a]pyrimidine-7-carboxylic acid?
1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5-oxo-6-phenylmethoxyimidazo[1,2-a]pyrimidine-7-carboxylic acid has a molecular weight of 424.46 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5-oxo-6-phenylmethoxyimidazo[1,2-a]pyrimidine-7-carboxylic acid is sourced from PubChem (CID 58126984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).