5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)thiophene-2-carboxylic acid

C12H13N3O2S — CID 55183628

IUPAC5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(CN2CCn3ccnc3C2)s1
InChIInChI=1S/C12H13N3O2S/c16-12(17)10-2-1-9(18-10)7-14-5-6-15-4-3-13-11(15)8-14/h1-4H,5-8H2,(H,16,17)
InChIKeySTIDXEDHRUIJMQ-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.66
Rot. Bonds3

About 5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)thiophene-2-carboxylic acid

5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)thiophene-2-carboxylic acid (PubChem CID 55183628) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is 5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)thiophene-2-carboxylic acid
PubChem CID55183628
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Name5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(CN2CCn3ccnc3C2)s1
InChIInChI=1S/C12H13N3O2S/c16-12(17)10-2-1-9(18-10)7-14-5-6-15-4-3-13-11(15)8-14/h1-4H,5-8H2,(H,16,17)
InChIKeySTIDXEDHRUIJMQ-UHFFFAOYSA-N
XLogP1.66
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)thiophene-2-carboxylic acid?
The IUPAC name of 5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)thiophene-2-carboxylic acid (CID 55183628) is 5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)thiophene-2-carboxylic acid?
The canonical SMILES for 5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)thiophene-2-carboxylic acid is O=C(O)c1ccc(CN2CCn3ccnc3C2)s1.
What is the InChIKey of 5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)thiophene-2-carboxylic acid?
The InChIKey is STIDXEDHRUIJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c16-12(17)10-2-1-9(18-10)7-14-5-6-15-4-3-13-11(15)8-14/h1-4H,5-8H2,(H,16,17).
What are the key properties of 5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)thiophene-2-carboxylic acid?
5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)thiophene-2-carboxylic acid has a molecular weight of 263.32 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 55183628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).