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

C16H23N5O2 — CID 141455202

IUPAC2-[2-(3,4-dimethylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCC1CN(CCOc2nc3ccccn3c2C(N)=O)CCN1C
InChIInChI=1S/C16H23N5O2/c1-12-11-20(8-7-19(12)2)9-10-23-16-14(15(17)22)21-6-4-3-5-13(21)18-16/h3-6,12H,7-11H2,1-2H3,(H2,17,22)
InChIKeyPGEQJNRQZREAGG-UHFFFAOYSA-N
MW317.39 g/mol
LogP0.45
Rot. Bonds5

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

2-[2-(3,4-dimethylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 141455202) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-[2-(3,4-dimethylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[2-(3,4-dimethylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID141455202
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name2-[2-(3,4-dimethylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCC1CN(CCOc2nc3ccccn3c2C(N)=O)CCN1C
InChIInChI=1S/C16H23N5O2/c1-12-11-20(8-7-19(12)2)9-10-23-16-14(15(17)22)21-6-4-3-5-13(21)18-16/h3-6,12H,7-11H2,1-2H3,(H2,17,22)
InChIKeyPGEQJNRQZREAGG-UHFFFAOYSA-N
XLogP0.45
TPSA76.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 7-[2-(3,4-dimethylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxylate
CID 123846928
2-[4-(3-carbamoylimidazo[1,2-a]pyridin-2-yl)oxyphenoxy]propanoic acid
CID 70364898
[4-[2-(3,4-dimethylpiperazin-1-yl)ethoxy]phenyl]boronic acid
CID 63634672
2-(1-methylpiperidin-4-yl)oxyimidazo[1,2-a]pyridine-3-carboxylic acid
CID 61357370
3-(chloromethyl)-2-(3,4-dimethylpiperazin-1-yl)imidazo[1,2-a]pyridine
CID 55217934
3-(bromomethyl)-2-(3,4-dimethylpiperazin-1-yl)imidazo[1,2-a]pyridine
CID 107083505
2-[2-(4-ethyl-3-methylpiperazin-1-yl)ethoxy]benzoic acid
CID 63608700
1-[4-(2-methoxyethyl)piperazin-1-yl]-2-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanone
CID 110090586
2-(3,4-dimethylpiperazin-1-yl)-1-(2-methylphenyl)ethanone
CID 63610775
2-[[4-[2-(2-acetylphenoxy)ethyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 42949475
2-piperazin-1-ylimidazo[1,2-a]pyridine-3-carboxamide
CID 170316248
2-(oxetan-3-yloxy)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 102605782

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dimethylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 2-[2-(3,4-dimethylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide (CID 141455202) is 2-[2-(3,4-dimethylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 2-[2-(3,4-dimethylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 2-[2-(3,4-dimethylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide is CC1CN(CCOc2nc3ccccn3c2C(N)=O)CCN1C.
What is the InChIKey of 2-[2-(3,4-dimethylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is PGEQJNRQZREAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-12-11-20(8-7-19(12)2)9-10-23-16-14(15(17)22)21-6-4-3-5-13(21)18-16/h3-6,12H,7-11H2,1-2H3,(H2,17,22).
What are the key properties of 2-[2-(3,4-dimethylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide?
2-[2-(3,4-dimethylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 0.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dimethylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 141455202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).