methyl 3-[[1-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)acetyl]piperidin-4-yl]amino]benzoate

C23H26N4O3 — CID 71913186

IUPACmethyl 3-[[1-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)acetyl]piperidin-4-yl]amino]benzoate
SMILESCOC(=O)c1cccc(NC2CCN(C(=O)Cc3cn4cccc(C)c4n3)CC2)c1
InChIInChI=1S/C23H26N4O3/c1-16-5-4-10-27-15-20(25-22(16)27)14-21(28)26-11-8-18(9-12-26)24-19-7-3-6-17(13-19)23(29)30-2/h3-7,10,13,15,18,24H,8-9,11-12,14H2,1-2H3
InChIKeyIMRRHTGLYVCNKU-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.07
Rot. Bonds5

About methyl 3-[[1-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)acetyl]piperidin-4-yl]amino]benzoate

methyl 3-[[1-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)acetyl]piperidin-4-yl]amino]benzoate (PubChem CID 71913186) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is methyl 3-[[1-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)acetyl]piperidin-4-yl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[[1-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)acetyl]piperidin-4-yl]amino]benzoate
PubChem CID71913186
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Namemethyl 3-[[1-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)acetyl]piperidin-4-yl]amino]benzoate
SMILESCOC(=O)c1cccc(NC2CCN(C(=O)Cc3cn4cccc(C)c4n3)CC2)c1
InChIInChI=1S/C23H26N4O3/c1-16-5-4-10-27-15-20(25-22(16)27)14-21(28)26-11-8-18(9-12-26)24-19-7-3-6-17(13-19)23(29)30-2/h3-7,10,13,15,18,24H,8-9,11-12,14H2,1-2H3
InChIKeyIMRRHTGLYVCNKU-UHFFFAOYSA-N
XLogP3.07
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 3-[[1-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)acetyl]piperidin-4-yl]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-(3-acetylphenyl)-2-(8-methylimidazo[1,2-a]pyridin-2-yl)acetamide
CID 47092008
methyl 3-fluoro-1-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)acetyl]pyrrolidine-3-carboxylate
CID 154749622
N-cyclopentyl-3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
CID 24616136
methyl 3-[[1-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperidin-4-yl]amino]benzoate
CID 120639587
methyl 3-[[1-[2-(4-methylphenyl)acetyl]piperidine-4-carbonyl]amino]benzoate
CID 113007991
methyl 3-[[1-(2-oxaspiro[3.3]heptane-6-carbonyl)piperidin-4-yl]amino]benzoate
CID 155961221
2-(8-methylimidazo[1,2-a]pyridin-2-yl)-1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone
CID 56778826
2-(8-methylimidazo[1,2-a]pyridin-2-yl)-1-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone
CID 95346977
2-(8-methylimidazo[1,2-a]pyridin-2-yl)-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethanone
CID 95353457
(8-methylimidazo[1,2-a]pyridin-2-yl)methyl 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate
CID 16569268
ethyl 4-[[2-(3-methoxycarbonylanilino)acetyl]amino]piperidine-1-carboxylate
CID 109003771
N-(3-butoxyphenyl)-2-(8-methylimidazo[1,2-a]pyridin-2-yl)acetamide
CID 86880280

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[1-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)acetyl]piperidin-4-yl]amino]benzoate?
The IUPAC name of methyl 3-[[1-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)acetyl]piperidin-4-yl]amino]benzoate (CID 71913186) is methyl 3-[[1-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)acetyl]piperidin-4-yl]amino]benzoate.
What is the SMILES notation for methyl 3-[[1-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)acetyl]piperidin-4-yl]amino]benzoate?
The canonical SMILES for methyl 3-[[1-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)acetyl]piperidin-4-yl]amino]benzoate is COC(=O)c1cccc(NC2CCN(C(=O)Cc3cn4cccc(C)c4n3)CC2)c1.
What is the InChIKey of methyl 3-[[1-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)acetyl]piperidin-4-yl]amino]benzoate?
The InChIKey is IMRRHTGLYVCNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-16-5-4-10-27-15-20(25-22(16)27)14-21(28)26-11-8-18(9-12-26)24-19-7-3-6-17(13-19)23(29)30-2/h3-7,10,13,15,18,24H,8-9,11-12,14H2,1-2H3.
What are the key properties of methyl 3-[[1-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)acetyl]piperidin-4-yl]amino]benzoate?
methyl 3-[[1-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)acetyl]piperidin-4-yl]amino]benzoate has a molecular weight of 406.49 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[1-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)acetyl]piperidin-4-yl]amino]benzoate is sourced from PubChem (CID 71913186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).