methyl 3-[[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methyl]benzoate

C21H24N4O2 — CID 134011276

IUPACmethyl 3-[[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methyl]benzoate
SMILESCOC(=O)c1cccc(CN2CCN(Cc3cn4ccccc4n3)CC2)c1
InChIInChI=1S/C21H24N4O2/c1-27-21(26)18-6-4-5-17(13-18)14-23-9-11-24(12-10-23)15-19-16-25-8-3-2-7-20(25)22-19/h2-8,13,16H,9-12,14-15H2,1H3
InChIKeyWDKOAPHYTDSMJP-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.44
Rot. Bonds5

About methyl 3-[[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methyl]benzoate

methyl 3-[[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methyl]benzoate (PubChem CID 134011276) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is methyl 3-[[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methyl]benzoate
PubChem CID134011276
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Namemethyl 3-[[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methyl]benzoate
SMILESCOC(=O)c1cccc(CN2CCN(Cc3cn4ccccc4n3)CC2)c1
InChIInChI=1S/C21H24N4O2/c1-27-21(26)18-6-4-5-17(13-18)14-23-9-11-24(12-10-23)15-19-16-25-8-3-2-7-20(25)22-19/h2-8,13,16H,9-12,14-15H2,1H3
InChIKeyWDKOAPHYTDSMJP-UHFFFAOYSA-N
XLogP2.44
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 3-[[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methyl]benzoate with MolForge

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Related Compounds

2-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 6464477
methyl 2-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine-7-carboxylate
CID 117256424
methyl 2-[[2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]acetyl]amino]-3-phenylpropanoate
CID 78836243
methyl 3-[[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methyl]furan-2-carboxylate
CID 134011388
methyl 3-[[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]benzoate
CID 30410977
methyl (2S)-2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]propanoate
CID 94393972
methyl 2-[[2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]acetyl]amino]benzoate
CID 78836239
methyl 3-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]benzoate
CID 8721345
ethyl 2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]acetate
CID 134031725
2-amino-1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-2-methylpropan-1-one;dihydrochloride
CID 119837375
1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 71944000
2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 134011203

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methyl]benzoate?
The IUPAC name of methyl 3-[[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methyl]benzoate (CID 134011276) is methyl 3-[[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methyl]benzoate.
What is the SMILES notation for methyl 3-[[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methyl]benzoate?
The canonical SMILES for methyl 3-[[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methyl]benzoate is COC(=O)c1cccc(CN2CCN(Cc3cn4ccccc4n3)CC2)c1.
What is the InChIKey of methyl 3-[[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methyl]benzoate?
The InChIKey is WDKOAPHYTDSMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-27-21(26)18-6-4-5-17(13-18)14-23-9-11-24(12-10-23)15-19-16-25-8-3-2-7-20(25)22-19/h2-8,13,16H,9-12,14-15H2,1H3.
What are the key properties of methyl 3-[[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methyl]benzoate?
methyl 3-[[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methyl]benzoate has a molecular weight of 364.45 g/mol, XLogP of 2.44, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methyl]benzoate is sourced from PubChem (CID 134011276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).