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

C22H25N5O3 — CID 78836239

IUPACmethyl 2-[[2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)CN1CCN(Cc2cn3ccccc3n2)CC1
InChIInChI=1S/C22H25N5O3/c1-30-22(29)18-6-2-3-7-19(18)24-21(28)16-26-12-10-25(11-13-26)14-17-15-27-9-5-4-8-20(27)23-17/h2-9,15H,10-14,16H2,1H3,(H,24,28)
InChIKeyKLMVZZGGWAQCPQ-UHFFFAOYSA-N
MW407.47 g/mol
LogP1.88
Rot. Bonds6

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

methyl 2-[[2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]acetyl]amino]benzoate (PubChem CID 78836239) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is methyl 2-[[2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]acetyl]amino]benzoate
PubChem CID78836239
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC Namemethyl 2-[[2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)CN1CCN(Cc2cn3ccccc3n2)CC1
InChIInChI=1S/C22H25N5O3/c1-30-22(29)18-6-2-3-7-19(18)24-21(28)16-26-12-10-25(11-13-26)14-17-15-27-9-5-4-8-20(27)23-17/h2-9,15H,10-14,16H2,1H3,(H,24,28)
InChIKeyKLMVZZGGWAQCPQ-UHFFFAOYSA-N
XLogP1.88
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,5-difluorophenyl)-2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 134011222
methyl 3-[[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methyl]furan-2-carboxylate
CID 134011388
methyl 3-[[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methyl]benzoate
CID 134011276
methyl 2-[(2-piperidin-1-ylacetyl)amino]benzoate
CID 892472
methyl 2-[[2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]acetyl]amino]-3-phenylpropanoate
CID 78836243
methyl 2-[[2-(4-formylpiperazin-1-yl)acetyl]amino]benzoate
CID 108995831
2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 134011203
2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-N-(2-methyl-1-phenylpropyl)acetamide
CID 134011385
methyl (2S)-2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]propanoate
CID 94393972
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 86915610
2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 86915606
2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 87015088

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]acetyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]acetyl]amino]benzoate (CID 78836239) is methyl 2-[[2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]acetyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]acetyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]acetyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)CN1CCN(Cc2cn3ccccc3n2)CC1.
What is the InChIKey of methyl 2-[[2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]acetyl]amino]benzoate?
The InChIKey is KLMVZZGGWAQCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-30-22(29)18-6-2-3-7-19(18)24-21(28)16-26-12-10-25(11-13-26)14-17-15-27-9-5-4-8-20(27)23-17/h2-9,15H,10-14,16H2,1H3,(H,24,28).
What are the key properties of methyl 2-[[2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]acetyl]amino]benzoate?
methyl 2-[[2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]acetyl]amino]benzoate has a molecular weight of 407.47 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]acetyl]amino]benzoate is sourced from PubChem (CID 78836239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).