5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-2-methylfuran-3-carboxylic acid

C13H15N3O3 — CID 63014328

IUPAC5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-2-methylfuran-3-carboxylic acid
SMILESCc1oc(CN2CCn3ccnc3C2)cc1C(=O)O
InChIInChI=1S/C13H15N3O3/c1-9-11(13(17)18)6-10(19-9)7-15-4-5-16-3-2-14-12(16)8-15/h2-3,6H,4-5,7-8H2,1H3,(H,17,18)
InChIKeyIAQATXBDXICMIO-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.50
Rot. Bonds3

About 5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-2-methylfuran-3-carboxylic acid

5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-2-methylfuran-3-carboxylic acid (PubChem CID 63014328) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-2-methylfuran-3-carboxylic acid.

Molecular Properties

Compound Name5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-2-methylfuran-3-carboxylic acid
PubChem CID63014328
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-2-methylfuran-3-carboxylic acid
SMILESCc1oc(CN2CCn3ccnc3C2)cc1C(=O)O
InChIInChI=1S/C13H15N3O3/c1-9-11(13(17)18)6-10(19-9)7-15-4-5-16-3-2-14-12(16)8-15/h2-3,6H,4-5,7-8H2,1H3,(H,17,18)
InChIKeyIAQATXBDXICMIO-UHFFFAOYSA-N
XLogP1.50
TPSA71.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-2-methylfuran-3-carboxylic acid with MolForge

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Related Compounds

N-[[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-5-methylfuran-2-yl]methyl]ethanamine
CID 63025676
5-(azepan-1-ylmethyl)-2-methylfuran-3-carboxylic acid
CID 43477377
5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)thiophene-2-carboxylic acid
CID 55183628
3-bromo-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)benzoic acid
CID 102767640
5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-3-(4-methylphenyl)-1,2-oxazole
CID 86774588
5-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]-2-methylfuran-3-carboxylic acid
CID 103356685
5-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]-2-methylfuran-3-carboxylic acid
CID 62889473
3-[5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)thiophen-3-yl]prop-2-enoic acid
CID 76985338
2-methyl-5-[(2-oxopyrimidin-1-yl)methyl]furan-3-carboxylic acid
CID 43477298
N-[[5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)furan-3-yl]methyl]ethanamine
CID 55143655
N-[[5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)furan-2-yl]methyl]-2-methylpropan-1-amine
CID 63024993
5-[[4-(dimethylamino)piperidin-1-yl]methyl]-2-methylfuran-3-carboxylic acid
CID 43586208

Frequently Asked Questions

What is the IUPAC name of 5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-2-methylfuran-3-carboxylic acid?
The IUPAC name of 5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-2-methylfuran-3-carboxylic acid (CID 63014328) is 5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-2-methylfuran-3-carboxylic acid.
What is the SMILES notation for 5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-2-methylfuran-3-carboxylic acid?
The canonical SMILES for 5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-2-methylfuran-3-carboxylic acid is Cc1oc(CN2CCn3ccnc3C2)cc1C(=O)O.
What is the InChIKey of 5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-2-methylfuran-3-carboxylic acid?
The InChIKey is IAQATXBDXICMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-9-11(13(17)18)6-10(19-9)7-15-4-5-16-3-2-14-12(16)8-15/h2-3,6H,4-5,7-8H2,1H3,(H,17,18).
What are the key properties of 5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-2-methylfuran-3-carboxylic acid?
5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-2-methylfuran-3-carboxylic acid has a molecular weight of 261.28 g/mol, XLogP of 1.50, 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)-2-methylfuran-3-carboxylic acid is sourced from PubChem (CID 63014328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).