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

C15H20N4O2 — CID 117256424

IUPACmethyl 2-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine-7-carboxylate
SMILESCOC(=O)c1ccn2cc(CN3CCN(C)CC3)nc2c1
InChIInChI=1S/C15H20N4O2/c1-17-5-7-18(8-6-17)10-13-11-19-4-3-12(15(20)21-2)9-14(19)16-13/h3-4,9,11H,5-8,10H2,1-2H3
InChIKeyKLRHEJGXEHAPGV-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.87
Rot. Bonds3

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

methyl 2-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine-7-carboxylate (PubChem CID 117256424) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is methyl 2-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine-7-carboxylate
PubChem CID117256424
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Namemethyl 2-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine-7-carboxylate
SMILESCOC(=O)c1ccn2cc(CN3CCN(C)CC3)nc2c1
InChIInChI=1S/C15H20N4O2/c1-17-5-7-18(8-6-17)10-13-11-19-4-3-12(15(20)21-2)9-14(19)16-13/h3-4,9,11H,5-8,10H2,1-2H3
InChIKeyKLRHEJGXEHAPGV-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

methyl 2-[2-(4-methylpiperazin-1-yl)ethyl]imidazo[1,2-a]pyridine-7-carboxylate
CID 117135564
methyl 3-[[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methyl]benzoate
CID 134011276
methyl 2-[(4-methylpiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate
CID 117257939
methyl 3-[(4-methylpiperazin-1-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylate
CID 117257323
methyl 2-(3-methoxypropyl)imidazo[1,2-a]pyridine-7-carboxylate
CID 117133420
methyl 2-[(1-propan-2-ylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine-7-carboxylate
CID 117133970
methyl 2-[(3-methoxyphenoxy)methyl]imidazo[1,2-a]pyridine-7-carboxylate
CID 117256448
methyl 2-[(3-methylphenoxy)methyl]imidazo[1,2-a]pyridine-7-carboxylate
CID 117256440
methyl 2-(1-ethylpiperidin-2-yl)imidazo[1,2-a]pyridine-7-carboxylate
CID 117134360
methyl 6-[(4-methylpiperazin-1-yl)methyl]pyridine-2-carboxylate
CID 59290933
methyl 2-[(4-tert-butyl-2-fluoro-5-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-7-carboxylate
CID 155399381
methyl 3-[[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methyl]furan-2-carboxylate
CID 134011388

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine-7-carboxylate?
The IUPAC name of methyl 2-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine-7-carboxylate (CID 117256424) is methyl 2-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine-7-carboxylate.
What is the SMILES notation for methyl 2-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine-7-carboxylate?
The canonical SMILES for methyl 2-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine-7-carboxylate is COC(=O)c1ccn2cc(CN3CCN(C)CC3)nc2c1.
What is the InChIKey of methyl 2-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine-7-carboxylate?
The InChIKey is KLRHEJGXEHAPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-17-5-7-18(8-6-17)10-13-11-19-4-3-12(15(20)21-2)9-14(19)16-13/h3-4,9,11H,5-8,10H2,1-2H3.
What are the key properties of methyl 2-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine-7-carboxylate?
methyl 2-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine-7-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 2-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine-7-carboxylate is sourced from PubChem (CID 117256424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).