lithium 7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxylate

C15H19LiN4O3 — CID 67252742

IUPAClithium 7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxylate
SMILESCN1CCN(CCOc2ccn3c(C(=O)[O-])cnc3c2)CC1.[Li+]
InChIInChI=1S/C15H20N4O3.Li/c1-17-4-6-18(7-5-17)8-9-22-12-2-3-19-13(15(20)21)11-16-14(19)10-12;/h2-3,10-11H,4-9H2,1H3,(H,20,21);/q;+1/p-1
InChIKeyMUWAMBRABFRDCP-UHFFFAOYSA-M
MW310.28 g/mol
LogP-3.67
Rot. Bonds5

About lithium 7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxylate

lithium 7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxylate (PubChem CID 67252742) has the molecular formula C15H19LiN4O3 and a molecular weight of 310.28 g/mol. Its IUPAC name is lithium 7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxylate.

Molecular Properties

Compound Namelithium 7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxylate
PubChem CID67252742
Molecular FormulaC15H19LiN4O3
Molecular Weight310.28 g/mol
Exact Mass310.16
IUPAC Namelithium 7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxylate
SMILESCN1CCN(CCOc2ccn3c(C(=O)[O-])cnc3c2)CC1.[Li+]
InChIInChI=1S/C15H20N4O3.Li/c1-17-4-6-18(7-5-17)8-9-22-12-2-3-19-13(15(20)21)11-16-14(19)10-12;/h2-3,10-11H,4-9H2,1H3,(H,20,21);/q;+1/p-1
InChIKeyMUWAMBRABFRDCP-UHFFFAOYSA-M
XLogP-3.67
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.28
LogP ≤ 5-3.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide
CID 67252366
N-[5-(formamidomethyl)-2-methylphenyl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide
CID 144771697
7-[2-(4-methylpiperazin-1-yl)ethoxy]-3-pyrimidin-4-ylimidazo[1,2-a]pyridine
CID 175782066
ethyl 7-[2-(3,4-dimethylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxylate
CID 123846928
1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-[1-[(6-propan-2-yl-2-pyridinyl)methyl]indazol-4-yl]ethanone
CID 158469134
ethyl 7-[3-(4-fluoro-4-methylpiperidin-1-yl)propoxy]imidazo[1,2-a]pyridine-3-carboxylate
CID 178051681
N-[3-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-2H-indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide
CID 123811292
1-methyl-4-[2-[[7-[2-(4-methylpiperazin-1-yl)ethoxy]-9H-fluoren-2-yl]oxy]ethyl]piperazine
CID 86567481
2-[3-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]indazol-4-yl]-1-[7-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]ethanone
CID 147971713
5-[2-(4-methylpiperazin-1-yl)ethoxy]pyridin-2-amine
CID 118271335
5-[2-(4-methylpiperazin-1-yl)ethoxy]pyridine-2-carbaldehyde
CID 82892009
1-methyl-4-[2-(3-nitrophenoxy)ethyl]piperazine;hydrochloride
CID 2993253

Frequently Asked Questions

What is the IUPAC name of lithium 7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxylate?
The IUPAC name of lithium 7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxylate (CID 67252742) is lithium 7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxylate.
What is the SMILES notation for lithium 7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxylate?
The canonical SMILES for lithium 7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxylate is CN1CCN(CCOc2ccn3c(C(=O)[O-])cnc3c2)CC1.[Li+].
What is the InChIKey of lithium 7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxylate?
The InChIKey is MUWAMBRABFRDCP-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H20N4O3.Li/c1-17-4-6-18(7-5-17)8-9-22-12-2-3-19-13(15(20)21)11-16-14(19)10-12;/h2-3,10-11H,4-9H2,1H3,(H,20,21);/q;+1/p-1.
What are the key properties of lithium 7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxylate?
lithium 7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxylate has a molecular weight of 310.28 g/mol, XLogP of -3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxylate is sourced from PubChem (CID 67252742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).