1-[(2-thiophen-2-ylimidazo[1,2-a]pyrimidin-3-yl)methyl]piperidine-4-carboxylic acid

C17H18N4O2S — CID 16740856

IUPAC1-[(2-thiophen-2-ylimidazo[1,2-a]pyrimidin-3-yl)methyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(Cc2c(-c3cccs3)nc3ncccn23)CC1
InChIInChI=1S/C17H18N4O2S/c22-16(23)12-4-8-20(9-5-12)11-13-15(14-3-1-10-24-14)19-17-18-6-2-7-21(13)17/h1-3,6-7,10,12H,4-5,8-9,11H2,(H,22,23)
InChIKeyJFONUMSXWWPQKN-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.75
Rot. Bonds4

About 1-[(2-thiophen-2-ylimidazo[1,2-a]pyrimidin-3-yl)methyl]piperidine-4-carboxylic acid

1-[(2-thiophen-2-ylimidazo[1,2-a]pyrimidin-3-yl)methyl]piperidine-4-carboxylic acid (PubChem CID 16740856) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is 1-[(2-thiophen-2-ylimidazo[1,2-a]pyrimidin-3-yl)methyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(2-thiophen-2-ylimidazo[1,2-a]pyrimidin-3-yl)methyl]piperidine-4-carboxylic acid
PubChem CID16740856
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name1-[(2-thiophen-2-ylimidazo[1,2-a]pyrimidin-3-yl)methyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(Cc2c(-c3cccs3)nc3ncccn23)CC1
InChIInChI=1S/C17H18N4O2S/c22-16(23)12-4-8-20(9-5-12)11-13-15(14-3-1-10-24-14)19-17-18-6-2-7-21(13)17/h1-3,6-7,10,12H,4-5,8-9,11H2,(H,22,23)
InChIKeyJFONUMSXWWPQKN-UHFFFAOYSA-N
XLogP2.75
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2-thiophen-2-ylimidazo[1,2-a]pyrimidin-3-yl)methyl]piperidine-2-carboxylic acid
CID 16740500
1-[(2-thiophen-2-ylimidazo[1,2-a]pyrimidin-3-yl)methyl]pyrrolidine-2-carboxylic acid
CID 16740501
2-phenyl-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyrimidine
CID 122183039
(3R)-1-[[2-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyrimidin-3-yl]methyl]piperidine-3-carboxylic acid
CID 40638692
2-phenyl-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyrimidine
CID 122183047
4-[(2-phenylimidazo[1,2-a]pyrimidin-3-yl)methyl]morpholine
CID 122183034
1-[[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylic acid
CID 2759661
1-[[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylic acid
CID 2759101
3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylic acid
CID 146463144
3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-N-(2,6-dichlorophenyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxamide
CID 155270962
1-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxylic acid
CID 42961844
1-(thiophen-2-ylmethyl)pyrrolidine-3-carboxylic acid
CID 63031199

Frequently Asked Questions

What is the IUPAC name of 1-[(2-thiophen-2-ylimidazo[1,2-a]pyrimidin-3-yl)methyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(2-thiophen-2-ylimidazo[1,2-a]pyrimidin-3-yl)methyl]piperidine-4-carboxylic acid (CID 16740856) is 1-[(2-thiophen-2-ylimidazo[1,2-a]pyrimidin-3-yl)methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(2-thiophen-2-ylimidazo[1,2-a]pyrimidin-3-yl)methyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(2-thiophen-2-ylimidazo[1,2-a]pyrimidin-3-yl)methyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(Cc2c(-c3cccs3)nc3ncccn23)CC1.
What is the InChIKey of 1-[(2-thiophen-2-ylimidazo[1,2-a]pyrimidin-3-yl)methyl]piperidine-4-carboxylic acid?
The InChIKey is JFONUMSXWWPQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c22-16(23)12-4-8-20(9-5-12)11-13-15(14-3-1-10-24-14)19-17-18-6-2-7-21(13)17/h1-3,6-7,10,12H,4-5,8-9,11H2,(H,22,23).
What are the key properties of 1-[(2-thiophen-2-ylimidazo[1,2-a]pyrimidin-3-yl)methyl]piperidine-4-carboxylic acid?
1-[(2-thiophen-2-ylimidazo[1,2-a]pyrimidin-3-yl)methyl]piperidine-4-carboxylic acid has a molecular weight of 342.42 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-thiophen-2-ylimidazo[1,2-a]pyrimidin-3-yl)methyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 16740856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).