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

C18H26N4O3 — CID 123846928

IUPACethyl 7-[2-(3,4-dimethylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnc2cc(OCCN3CCN(C)C(C)C3)ccn12
InChIInChI=1S/C18H26N4O3/c1-4-24-18(23)16-12-19-17-11-15(5-6-22(16)17)25-10-9-21-8-7-20(3)14(2)13-21/h5-6,11-12,14H,4,7-10,13H2,1-3H3
InChIKeyKYWLYKICWULXAU-UHFFFAOYSA-N
MW346.43 g/mol
LogP1.53
Rot. Bonds6

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

ethyl 7-[2-(3,4-dimethylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxylate (PubChem CID 123846928) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is ethyl 7-[2-(3,4-dimethylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-[2-(3,4-dimethylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxylate
PubChem CID123846928
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Nameethyl 7-[2-(3,4-dimethylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnc2cc(OCCN3CCN(C)C(C)C3)ccn12
InChIInChI=1S/C18H26N4O3/c1-4-24-18(23)16-12-19-17-11-15(5-6-22(16)17)25-10-9-21-8-7-20(3)14(2)13-21/h5-6,11-12,14H,4,7-10,13H2,1-3H3
InChIKeyKYWLYKICWULXAU-UHFFFAOYSA-N
XLogP1.53
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 7-[3-(4-fluoro-4-methylpiperidin-1-yl)propoxy]imidazo[1,2-a]pyridine-3-carboxylate
CID 178051681
7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide
CID 67252366
lithium 7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxylate
CID 67252742
7-(2,2-difluoroethoxy)imidazo[1,2-a]pyridine-3-carboxylic acid;ethyl 7-(2,2-difluoroethoxy)imidazo[1,2-a]pyridine-3-carboxylate
CID 161088998
7-[2-[(3S)-3,4-dimethylpiperazin-1-yl]ethoxy]-N-[3-methyl-1-[(5-propyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 57385611
ethyl 7-fluoroimidazo[1,2-a]pyridine-3-carboxylate
CID 67259301
ethyl 7-pyrrolidin-1-ylimidazo[1,2-a]pyridine-3-carboxylate
CID 145001485
N-[3-chloro-1-[(6-cyclopropyl-2-pyridinyl)methyl]indazol-4-yl]-7-[2-[(3S)-3,4-dimethylpiperazin-1-yl]ethoxy]imidazo[1,2-a]pyridine-3-carboxamide
CID 57384599
ethyl 7-morpholin-4-ylimidazo[1,2-a]pyridine-3-carboxylate;methanol
CID 178051371
2-[2-(3,4-dimethylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide
CID 141455202
[4-[2-(3,4-dimethylpiperazin-1-yl)ethoxy]phenyl]boronic acid
CID 63634672
N-[5-(formamidomethyl)-2-methylphenyl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide
CID 144771697

Frequently Asked Questions

What is the IUPAC name of ethyl 7-[2-(3,4-dimethylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxylate?
The IUPAC name of ethyl 7-[2-(3,4-dimethylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxylate (CID 123846928) is ethyl 7-[2-(3,4-dimethylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 7-[2-(3,4-dimethylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxylate?
The canonical SMILES for ethyl 7-[2-(3,4-dimethylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxylate is CCOC(=O)c1cnc2cc(OCCN3CCN(C)C(C)C3)ccn12.
What is the InChIKey of ethyl 7-[2-(3,4-dimethylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxylate?
The InChIKey is KYWLYKICWULXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-4-24-18(23)16-12-19-17-11-15(5-6-22(16)17)25-10-9-21-8-7-20(3)14(2)13-21/h5-6,11-12,14H,4,7-10,13H2,1-3H3.
What are the key properties of ethyl 7-[2-(3,4-dimethylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxylate?
ethyl 7-[2-(3,4-dimethylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxylate has a molecular weight of 346.43 g/mol, XLogP of 1.53, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-[2-(3,4-dimethylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxylate is sourced from PubChem (CID 123846928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).