[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate

C19H20N6O3 — CID 40682092

IUPAC[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate
SMILESCc1cccc2nc(C(=O)OCC(=O)N3CCN(c4ncccn4)CC3)cn12
InChIInChI=1S/C19H20N6O3/c1-14-4-2-5-16-22-15(12-25(14)16)18(27)28-13-17(26)23-8-10-24(11-9-23)19-20-6-3-7-21-19/h2-7,12H,8-11,13H2,1H3
InChIKeyWUZSTEOMQWYNBG-UHFFFAOYSA-N
MW380.41 g/mol
LogP0.94
Rot. Bonds4

About [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate

[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 40682092) has the molecular formula C19H20N6O3 and a molecular weight of 380.41 g/mol. Its IUPAC name is [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate
PubChem CID40682092
Molecular FormulaC19H20N6O3
Molecular Weight380.41 g/mol
Exact Mass380.16
IUPAC Name[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate
SMILESCc1cccc2nc(C(=O)OCC(=O)N3CCN(c4ncccn4)CC3)cn12
InChIInChI=1S/C19H20N6O3/c1-14-4-2-5-16-22-15(12-25(14)16)18(27)28-13-17(26)23-8-10-24(11-9-23)19-20-6-3-7-21-19/h2-7,12H,8-11,13H2,1H3
InChIKeyWUZSTEOMQWYNBG-UHFFFAOYSA-N
XLogP0.94
TPSA92.93 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate with MolForge

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Related Compounds

[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 4-methoxybenzoate
CID 9011210
[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 2-methylsulfanylpyridine-3-carboxylate
CID 9343773
2-(2,6-dimethylphenoxy)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 4816169
[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 4-(diethylamino)benzoate
CID 9203260
[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 2-phenyl-1,3-thiazole-4-carboxylate
CID 8542517
[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 4-propan-2-ylbenzoate
CID 9019880
[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 4-formylbenzoate
CID 9019726
1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-quinolin-8-yloxyethanone
CID 110855024
[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 4-acetyl-1H-pyrrole-2-carboxylate
CID 9386251
[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 2-methylcyclopropane-1-carboxylate
CID 51110303
[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 3-amino-4-chlorobenzoate
CID 9078959
2-(3,5-dimethylphenoxy)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 2381168

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate (CID 40682092) is [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate is Cc1cccc2nc(C(=O)OCC(=O)N3CCN(c4ncccn4)CC3)cn12.
What is the InChIKey of [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is WUZSTEOMQWYNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O3/c1-14-4-2-5-16-22-15(12-25(14)16)18(27)28-13-17(26)23-8-10-24(11-9-23)19-20-6-3-7-21-19/h2-7,12H,8-11,13H2,1H3.
What are the key properties of [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate?
[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 380.41 g/mol, XLogP of 0.94, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 5-methylimidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 40682092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).