6-methyl-3-[(4-methylpiperazin-4-ium-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxylate

C15H20N4O2 — CID 39121901

IUPAC6-methyl-3-[(4-methylpiperazin-4-ium-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxylate
SMILESCc1ccc2nc(C(=O)[O-])c(CN3CC[NH+](C)CC3)n2c1
InChIInChI=1S/C15H20N4O2/c1-11-3-4-13-16-14(15(20)21)12(19(13)9-11)10-18-7-5-17(2)6-8-18/h3-4,9H,5-8,10H2,1-2H3,(H,20,21)
InChIKeyXDAHSYCTVYGPDH-UHFFFAOYSA-N
MW288.35 g/mol
LogP-1.66
Rot. Bonds3

About 6-methyl-3-[(4-methylpiperazin-4-ium-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxylate

6-methyl-3-[(4-methylpiperazin-4-ium-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 39121901) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 6-methyl-3-[(4-methylpiperazin-4-ium-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Name6-methyl-3-[(4-methylpiperazin-4-ium-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxylate
PubChem CID39121901
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name6-methyl-3-[(4-methylpiperazin-4-ium-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxylate
SMILESCc1ccc2nc(C(=O)[O-])c(CN3CC[NH+](C)CC3)n2c1
InChIInChI=1S/C15H20N4O2/c1-11-3-4-13-16-14(15(20)21)12(19(13)9-11)10-18-7-5-17(2)6-8-18/h3-4,9H,5-8,10H2,1-2H3,(H,20,21)
InChIKeyXDAHSYCTVYGPDH-UHFFFAOYSA-N
XLogP-1.66
TPSA65.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 5-1.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-methyl-3-[(4-methylpiperazin-4-ium-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxylate with MolForge

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Related Compounds

2-[6-methyl-3-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridin-2-yl]acetic acid
CID 39119804
2-[3-(azepan-1-ylmethyl)-6-methylimidazo[1,2-a]pyridin-2-yl]acetic acid
CID 39119717
2-[6-methyl-3-(piperidin-1-ium-1-ylmethyl)imidazo[1,2-a]pyridin-2-yl]acetate
CID 39119884
3-[[tert-butyl(ethyl)amino]methyl]-6-methylimidazo[1,2-a]pyridine-2-carboxylic acid
CID 39121793
3-(chloromethyl)-2,6-dimethylimidazo[1,2-a]pyridine;hydrochloride
CID 82530392
1-[[6-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylic acid
CID 2759949
2-(4-methylphenyl)-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridin-6-amine
CID 165344231
2-methyl-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-amine
CID 82058473
2-methyl-3-[(4-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-6-amine
CID 82058433
6-methyl-3-(pyrrolidin-1-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255385
2-(2-tert-butyl-6-methylimidazo[1,2-a]pyridin-3-yl)acetic acid
CID 82530312
2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid;hydrochloride
CID 74889750

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[(4-methylpiperazin-4-ium-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of 6-methyl-3-[(4-methylpiperazin-4-ium-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxylate (CID 39121901) is 6-methyl-3-[(4-methylpiperazin-4-ium-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for 6-methyl-3-[(4-methylpiperazin-4-ium-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for 6-methyl-3-[(4-methylpiperazin-4-ium-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxylate is Cc1ccc2nc(C(=O)[O-])c(CN3CC[NH+](C)CC3)n2c1.
What is the InChIKey of 6-methyl-3-[(4-methylpiperazin-4-ium-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is XDAHSYCTVYGPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-11-3-4-13-16-14(15(20)21)12(19(13)9-11)10-18-7-5-17(2)6-8-18/h3-4,9H,5-8,10H2,1-2H3,(H,20,21).
What are the key properties of 6-methyl-3-[(4-methylpiperazin-4-ium-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxylate?
6-methyl-3-[(4-methylpiperazin-4-ium-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 288.35 g/mol, XLogP of -1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[(4-methylpiperazin-4-ium-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 39121901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).