1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)-2-methylpyrrolidine-3-carboxylic acid

C13H18N4O3 — CID 79382647

IUPAC1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)-2-methylpyrrolidine-3-carboxylic acid
SMILESCC1C(C(=O)O)CCN1C(=O)N1CCn2ccnc2C1
InChIInChI=1S/C13H18N4O3/c1-9-10(12(18)19)2-4-17(9)13(20)16-7-6-15-5-3-14-11(15)8-16/h3,5,9-10H,2,4,6-8H2,1H3,(H,18,19)
InChIKeyAPOUNYKVWVNQAU-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.61
Rot. Bonds1

About 1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)-2-methylpyrrolidine-3-carboxylic acid

1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)-2-methylpyrrolidine-3-carboxylic acid (PubChem CID 79382647) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is 1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)-2-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)-2-methylpyrrolidine-3-carboxylic acid
PubChem CID79382647
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC Name1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)-2-methylpyrrolidine-3-carboxylic acid
SMILESCC1C(C(=O)O)CCN1C(=O)N1CCn2ccnc2C1
InChIInChI=1S/C13H18N4O3/c1-9-10(12(18)19)2-4-17(9)13(20)16-7-6-15-5-3-14-11(15)8-16/h3,5,9-10H,2,4,6-8H2,1H3,(H,18,19)
InChIKeyAPOUNYKVWVNQAU-UHFFFAOYSA-N
XLogP0.61
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)-2-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)-2-methylpyrrolidine-3-carboxylic acid (CID 79382647) is 1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)-2-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)-2-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)-2-methylpyrrolidine-3-carboxylic acid is CC1C(C(=O)O)CCN1C(=O)N1CCn2ccnc2C1.
What is the InChIKey of 1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)-2-methylpyrrolidine-3-carboxylic acid?
The InChIKey is APOUNYKVWVNQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c1-9-10(12(18)19)2-4-17(9)13(20)16-7-6-15-5-3-14-11(15)8-16/h3,5,9-10H,2,4,6-8H2,1H3,(H,18,19).
What are the key properties of 1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)-2-methylpyrrolidine-3-carboxylic acid?
1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)-2-methylpyrrolidine-3-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of 0.61, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)-2-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 79382647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).