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

C16H16N4O2S — CID 16740501

IUPAC1-[(2-thiophen-2-ylimidazo[1,2-a]pyrimidin-3-yl)methyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1Cc1c(-c2cccs2)nc2ncccn12
InChIInChI=1S/C16H16N4O2S/c21-15(22)11-4-1-7-19(11)10-12-14(13-5-2-9-23-13)18-16-17-6-3-8-20(12)16/h2-3,5-6,8-9,11H,1,4,7,10H2,(H,21,22)
InChIKeyRNAFWFFWEGLOEI-UHFFFAOYSA-N
MW328.40 g/mol
LogP2.51
Rot. Bonds4

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

1-[(2-thiophen-2-ylimidazo[1,2-a]pyrimidin-3-yl)methyl]pyrrolidine-2-carboxylic acid (PubChem CID 16740501) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is 1-[(2-thiophen-2-ylimidazo[1,2-a]pyrimidin-3-yl)methyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(2-thiophen-2-ylimidazo[1,2-a]pyrimidin-3-yl)methyl]pyrrolidine-2-carboxylic acid
PubChem CID16740501
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC Name1-[(2-thiophen-2-ylimidazo[1,2-a]pyrimidin-3-yl)methyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1Cc1c(-c2cccs2)nc2ncccn12
InChIInChI=1S/C16H16N4O2S/c21-15(22)11-4-1-7-19(11)10-12-14(13-5-2-9-23-13)18-16-17-6-3-8-20(12)16/h2-3,5-6,8-9,11H,1,4,7,10H2,(H,21,22)
InChIKeyRNAFWFFWEGLOEI-UHFFFAOYSA-N
XLogP2.51
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-thiophen-2-ylimidazo[1,2-a]pyrimidin-3-yl)methyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[(2-thiophen-2-ylimidazo[1,2-a]pyrimidin-3-yl)methyl]pyrrolidine-2-carboxylic acid (CID 16740501) is 1-[(2-thiophen-2-ylimidazo[1,2-a]pyrimidin-3-yl)methyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[(2-thiophen-2-ylimidazo[1,2-a]pyrimidin-3-yl)methyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[(2-thiophen-2-ylimidazo[1,2-a]pyrimidin-3-yl)methyl]pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1Cc1c(-c2cccs2)nc2ncccn12.
What is the InChIKey of 1-[(2-thiophen-2-ylimidazo[1,2-a]pyrimidin-3-yl)methyl]pyrrolidine-2-carboxylic acid?
The InChIKey is RNAFWFFWEGLOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c21-15(22)11-4-1-7-19(11)10-12-14(13-5-2-9-23-13)18-16-17-6-3-8-20(12)16/h2-3,5-6,8-9,11H,1,4,7,10H2,(H,21,22).
What are the key properties of 1-[(2-thiophen-2-ylimidazo[1,2-a]pyrimidin-3-yl)methyl]pyrrolidine-2-carboxylic acid?
1-[(2-thiophen-2-ylimidazo[1,2-a]pyrimidin-3-yl)methyl]pyrrolidine-2-carboxylic acid has a molecular weight of 328.40 g/mol, XLogP of 2.51, 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]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 16740501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).