5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methyl-2-(propylamino)pentanoic acid

C15H26N4O2 — CID 63026131

IUPAC5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methyl-2-(propylamino)pentanoic acid
SMILESCCCNC(C)(CCCN1CCn2ccnc2C1)C(=O)O
InChIInChI=1S/C15H26N4O2/c1-3-6-17-15(2,14(20)21)5-4-8-18-10-11-19-9-7-16-13(19)12-18/h7,9,17H,3-6,8,10-12H2,1-2H3,(H,20,21)
InChIKeyGKZOMGBTVNDHNA-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.32
Rot. Bonds8

About 5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methyl-2-(propylamino)pentanoic acid

5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methyl-2-(propylamino)pentanoic acid (PubChem CID 63026131) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methyl-2-(propylamino)pentanoic acid.

Molecular Properties

Compound Name5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methyl-2-(propylamino)pentanoic acid
PubChem CID63026131
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methyl-2-(propylamino)pentanoic acid
SMILESCCCNC(C)(CCCN1CCn2ccnc2C1)C(=O)O
InChIInChI=1S/C15H26N4O2/c1-3-6-17-15(2,14(20)21)5-4-8-18-10-11-19-9-7-16-13(19)12-18/h7,9,17H,3-6,8,10-12H2,1-2H3,(H,20,21)
InChIKeyGKZOMGBTVNDHNA-UHFFFAOYSA-N
XLogP1.32
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.32
H-Bond Donors ≤ 52
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-yl)-2-methyl-2-(propylamino)pentanoic acid?
The IUPAC name of 5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methyl-2-(propylamino)pentanoic acid (CID 63026131) is 5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methyl-2-(propylamino)pentanoic acid.
What is the SMILES notation for 5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methyl-2-(propylamino)pentanoic acid?
The canonical SMILES for 5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methyl-2-(propylamino)pentanoic acid is CCCNC(C)(CCCN1CCn2ccnc2C1)C(=O)O.
What is the InChIKey of 5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methyl-2-(propylamino)pentanoic acid?
The InChIKey is GKZOMGBTVNDHNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-3-6-17-15(2,14(20)21)5-4-8-18-10-11-19-9-7-16-13(19)12-18/h7,9,17H,3-6,8,10-12H2,1-2H3,(H,20,21).
What are the key properties of 5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methyl-2-(propylamino)pentanoic acid?
5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-methyl-2-(propylamino)pentanoic acid has a molecular weight of 294.40 g/mol, XLogP of 1.32, 8 rotatable bonds, 2 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-yl)-2-methyl-2-(propylamino)pentanoic acid is sourced from PubChem (CID 63026131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).