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

C18H28N4O2 — CID 97382126

IUPACN-[[7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide
SMILESO=C(NCc1cn2c(n1)CN(CC1CCOCC1)CC2)C1CCC1
InChIInChI=1S/C18H28N4O2/c23-18(15-2-1-3-15)19-10-16-12-22-7-6-21(13-17(22)20-16)11-14-4-8-24-9-5-14/h12,14-15H,1-11,13H2,(H,19,23)
InChIKeyZBBIKBMBQJDWTL-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.54
Rot. Bonds5

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

N-[[7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide (PubChem CID 97382126) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is N-[[7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[[7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide
PubChem CID97382126
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC NameN-[[7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide
SMILESO=C(NCc1cn2c(n1)CN(CC1CCOCC1)CC2)C1CCC1
InChIInChI=1S/C18H28N4O2/c23-18(15-2-1-3-15)19-10-16-12-22-7-6-21(13-17(22)20-16)11-14-4-8-24-9-5-14/h12,14-15H,1-11,13H2,(H,19,23)
InChIKeyZBBIKBMBQJDWTL-UHFFFAOYSA-N
XLogP1.54
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide?
The IUPAC name of N-[[7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide (CID 97382126) is N-[[7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[[7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide?
The canonical SMILES for N-[[7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide is O=C(NCc1cn2c(n1)CN(CC1CCOCC1)CC2)C1CCC1.
What is the InChIKey of N-[[7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide?
The InChIKey is ZBBIKBMBQJDWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c23-18(15-2-1-3-15)19-10-16-12-22-7-6-21(13-17(22)20-16)11-14-4-8-24-9-5-14/h12,14-15H,1-11,13H2,(H,19,23).
What are the key properties of N-[[7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide?
N-[[7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide has a molecular weight of 332.45 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide is sourced from PubChem (CID 97382126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).