4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)-1H-pyrrole-2-carboxylic acid

C11H12N4O4S — CID 63014472

IUPAC4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)-1H-pyrrole-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)N2CCn3ccnc3C2)c[nH]1
InChIInChI=1S/C11H12N4O4S/c16-11(17)9-5-8(6-13-9)20(18,19)15-4-3-14-2-1-12-10(14)7-15/h1-2,5-6,13H,3-4,7H2,(H,16,17)
InChIKeyDRWHUGCWFJYXGH-UHFFFAOYSA-N
MW296.31 g/mol
LogP0.11
Rot. Bonds3

About 4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)-1H-pyrrole-2-carboxylic acid

4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)-1H-pyrrole-2-carboxylic acid (PubChem CID 63014472) has the molecular formula C11H12N4O4S and a molecular weight of 296.31 g/mol. Its IUPAC name is 4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)-1H-pyrrole-2-carboxylic acid
PubChem CID63014472
Molecular FormulaC11H12N4O4S
Molecular Weight296.31 g/mol
Exact Mass296.06
IUPAC Name4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)-1H-pyrrole-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)N2CCn3ccnc3C2)c[nH]1
InChIInChI=1S/C11H12N4O4S/c16-11(17)9-5-8(6-13-9)20(18,19)15-4-3-14-2-1-12-10(14)7-15/h1-2,5-6,13H,3-4,7H2,(H,16,17)
InChIKeyDRWHUGCWFJYXGH-UHFFFAOYSA-N
XLogP0.11
TPSA108.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)-1H-pyrrole-2-carboxylic acid with MolForge

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Related Compounds

4-(azetidin-1-ylsulfonyl)-1H-pyrrole-2-carboxylic acid
CID 43440229
4-[(3-oxo-1,4-diazepan-1-yl)sulfonyl]-1H-pyrrole-2-carboxylic acid
CID 65366054
4-(4-hydroxypiperidin-1-yl)sulfonyl-1H-pyrrole-2-carboxylic acid
CID 28740525
7-[(2-chloro-4-pyridinyl)sulfonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 55149786
4-(4-acetylpiperazin-1-yl)sulfonyl-1H-pyrrole-2-carboxylic acid
CID 29034568
3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)-5-fluoroaniline
CID 63322328
[2-chloro-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)phenyl]methanol
CID 107090764
5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)pyridin-2-amine
CID 63020721
[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)-2-pyridinyl]hydrazine
CID 63024668
7-[4-(2-chloroethyl)phenyl]sulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 63021232
5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)-2-methoxyaniline
CID 63014254
7-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 63018949

Frequently Asked Questions

What is the IUPAC name of 4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)-1H-pyrrole-2-carboxylic acid (CID 63014472) is 4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)-1H-pyrrole-2-carboxylic acid is O=C(O)c1cc(S(=O)(=O)N2CCn3ccnc3C2)c[nH]1.
What is the InChIKey of 4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)-1H-pyrrole-2-carboxylic acid?
The InChIKey is DRWHUGCWFJYXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O4S/c16-11(17)9-5-8(6-13-9)20(18,19)15-4-3-14-2-1-12-10(14)7-15/h1-2,5-6,13H,3-4,7H2,(H,16,17).
What are the key properties of 4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)-1H-pyrrole-2-carboxylic acid?
4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)-1H-pyrrole-2-carboxylic acid has a molecular weight of 296.31 g/mol, XLogP of 0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylsulfonyl)-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 63014472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).