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

C17H18N4O2S — CID 16740500

IUPAC1-[(2-thiophen-2-ylimidazo[1,2-a]pyrimidin-3-yl)methyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1Cc1c(-c2cccs2)nc2ncccn12
InChIInChI=1S/C17H18N4O2S/c22-16(23)12-5-1-2-8-20(12)11-13-15(14-6-3-10-24-14)19-17-18-7-4-9-21(13)17/h3-4,6-7,9-10,12H,1-2,5,8,11H2,(H,22,23)
InChIKeyXNINCPZJYDVEPW-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.90
Rot. Bonds4

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

1-[(2-thiophen-2-ylimidazo[1,2-a]pyrimidin-3-yl)methyl]piperidine-2-carboxylic acid (PubChem CID 16740500) 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-2-carboxylic acid.

Molecular Properties

Compound Name1-[(2-thiophen-2-ylimidazo[1,2-a]pyrimidin-3-yl)methyl]piperidine-2-carboxylic acid
PubChem CID16740500
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name1-[(2-thiophen-2-ylimidazo[1,2-a]pyrimidin-3-yl)methyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1Cc1c(-c2cccs2)nc2ncccn12
InChIInChI=1S/C17H18N4O2S/c22-16(23)12-5-1-2-8-20(12)11-13-15(14-6-3-10-24-14)19-17-18-7-4-9-21(13)17/h3-4,6-7,9-10,12H,1-2,5,8,11H2,(H,22,23)
InChIKeyXNINCPZJYDVEPW-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
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]pyrrolidine-2-carboxylic acid
CID 16740501
1-[(2-thiophen-2-ylimidazo[1,2-a]pyrimidin-3-yl)methyl]piperidine-4-carboxylic acid
CID 16740856
1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]azepane-2-carboxylic acid
CID 64564317
(2R)-1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxylic acid
CID 119914241
1-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]pyrrolidine-2-carboxylic acid
CID 122036431
(2S)-1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidine-2-carboxylic acid
CID 119910746
1-(pyridin-2-ylmethyl)piperidine-2-carboxylic acid
CID 3310789
(2R)-1-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]pyrrolidine-2-carboxylic acid
CID 119934738
1-(pyridin-4-ylmethyl)azepane-2-carboxylic acid
CID 64562578
(2R)-1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylic acid
CID 40787079
2-phenyl-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyrimidine
CID 122183039
1-[(5-phenylthiophen-2-yl)methyl]piperidine-2-carboxylic acid
CID 122040447

Frequently Asked Questions

What is the IUPAC name of 1-[(2-thiophen-2-ylimidazo[1,2-a]pyrimidin-3-yl)methyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[(2-thiophen-2-ylimidazo[1,2-a]pyrimidin-3-yl)methyl]piperidine-2-carboxylic acid (CID 16740500) is 1-[(2-thiophen-2-ylimidazo[1,2-a]pyrimidin-3-yl)methyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[(2-thiophen-2-ylimidazo[1,2-a]pyrimidin-3-yl)methyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[(2-thiophen-2-ylimidazo[1,2-a]pyrimidin-3-yl)methyl]piperidine-2-carboxylic acid is O=C(O)C1CCCCN1Cc1c(-c2cccs2)nc2ncccn12.
What is the InChIKey of 1-[(2-thiophen-2-ylimidazo[1,2-a]pyrimidin-3-yl)methyl]piperidine-2-carboxylic acid?
The InChIKey is XNINCPZJYDVEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c22-16(23)12-5-1-2-8-20(12)11-13-15(14-6-3-10-24-14)19-17-18-7-4-9-21(13)17/h3-4,6-7,9-10,12H,1-2,5,8,11H2,(H,22,23).
What are the key properties of 1-[(2-thiophen-2-ylimidazo[1,2-a]pyrimidin-3-yl)methyl]piperidine-2-carboxylic acid?
1-[(2-thiophen-2-ylimidazo[1,2-a]pyrimidin-3-yl)methyl]piperidine-2-carboxylic acid has a molecular weight of 342.42 g/mol, XLogP of 2.90, 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-2-carboxylic acid is sourced from PubChem (CID 16740500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).