methyl 3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine-5-carboxylate

C15H20N4O2 — CID 117255995

IUPACmethyl 3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine-5-carboxylate
SMILESCOC(=O)c1cccc2ncc(CN3CCN(C)CC3)n12
InChIInChI=1S/C15H20N4O2/c1-17-6-8-18(9-7-17)11-12-10-16-14-5-3-4-13(19(12)14)15(20)21-2/h3-5,10H,6-9,11H2,1-2H3
InChIKeyBLJYQZLVUNQEKY-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.87
Rot. Bonds3

About methyl 3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine-5-carboxylate

methyl 3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine-5-carboxylate (PubChem CID 117255995) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is methyl 3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine-5-carboxylate
PubChem CID117255995
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Namemethyl 3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine-5-carboxylate
SMILESCOC(=O)c1cccc2ncc(CN3CCN(C)CC3)n12
InChIInChI=1S/C15H20N4O2/c1-17-6-8-18(9-7-17)11-12-10-16-14-5-3-4-13(19(12)14)15(20)21-2/h3-5,10H,6-9,11H2,1-2H3
InChIKeyBLJYQZLVUNQEKY-UHFFFAOYSA-N
XLogP0.87
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridine-5-carboxylic acid
CID 117255986
methyl 3-[(cyclopentylamino)methyl]imidazo[1,2-a]pyridine-5-carboxylate
CID 117255978
methyl 3-[(4-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-5-carboxylate
CID 117256025
methyl 5-[(4-methylpiperazin-1-yl)methyl]pyridine-2-carboxylate
CID 121249779
methyl 6-[(4-methylpiperazin-1-yl)methyl]pyridine-2-carboxylate
CID 59290933
methyl 3-cyclopropylimidazo[1,5-a]pyridine-5-carboxylate
CID 117142870
5-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylimidazole-2-carboxylic acid
CID 117193213
methyl 2-(azepan-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
CID 117257641
methyl 3-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridine-8-carboxylate
CID 117256875
methyl 3-methyl-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylate
CID 117142818
methyl 3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridine-8-carboxylate
CID 117256877
methyl 3-[(2-hydroxyphenyl)methyl]imidazo[1,5-a]pyridine-5-carboxylate
CID 117142779

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine-5-carboxylate?
The IUPAC name of methyl 3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine-5-carboxylate (CID 117255995) is methyl 3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine-5-carboxylate.
What is the SMILES notation for methyl 3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine-5-carboxylate?
The canonical SMILES for methyl 3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine-5-carboxylate is COC(=O)c1cccc2ncc(CN3CCN(C)CC3)n12.
What is the InChIKey of methyl 3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine-5-carboxylate?
The InChIKey is BLJYQZLVUNQEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-17-6-8-18(9-7-17)11-12-10-16-14-5-3-4-13(19(12)14)15(20)21-2/h3-5,10H,6-9,11H2,1-2H3.
What are the key properties of methyl 3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine-5-carboxylate?
methyl 3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine-5-carboxylate has a molecular weight of 288.35 g/mol, XLogP of 0.87, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine-5-carboxylate is sourced from PubChem (CID 117255995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).