2-[8-methyl-7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide

C18H30N4O2 — CID 131639562

IUPAC2-[8-methyl-7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cc1cn2c(n1)C(C)N(CC1CCOCC1)CC2
InChIInChI=1S/C18H30N4O2/c1-13(2)19-17(23)10-16-12-22-7-6-21(14(3)18(22)20-16)11-15-4-8-24-9-5-15/h12-15H,4-11H2,1-3H3,(H,19,23)
InChIKeyAFYYBIKAYFUUSX-UHFFFAOYSA-N
MW334.46 g/mol
LogP1.75
Rot. Bonds5

About 2-[8-methyl-7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide

2-[8-methyl-7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide (PubChem CID 131639562) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is 2-[8-methyl-7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[8-methyl-7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide
PubChem CID131639562
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Name2-[8-methyl-7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cc1cn2c(n1)C(C)N(CC1CCOCC1)CC2
InChIInChI=1S/C18H30N4O2/c1-13(2)19-17(23)10-16-12-22-7-6-21(14(3)18(22)20-16)11-15-4-8-24-9-5-15/h12-15H,4-11H2,1-3H3,(H,19,23)
InChIKeyAFYYBIKAYFUUSX-UHFFFAOYSA-N
XLogP1.75
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[8-methyl-7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[8-methyl-7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide (CID 131639562) is 2-[8-methyl-7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[8-methyl-7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[8-methyl-7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)Cc1cn2c(n1)C(C)N(CC1CCOCC1)CC2.
What is the InChIKey of 2-[8-methyl-7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide?
The InChIKey is AFYYBIKAYFUUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-13(2)19-17(23)10-16-12-22-7-6-21(14(3)18(22)20-16)11-15-4-8-24-9-5-15/h12-15H,4-11H2,1-3H3,(H,19,23).
What are the key properties of 2-[8-methyl-7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide?
2-[8-methyl-7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide has a molecular weight of 334.46 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-methyl-7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 131639562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).