6-(imidazo[1,2-a]pyrazin-6-ylmethyl)-4-[(2-piperidin-1-ylphenyl)methyl]-1,4-oxazepane

C24H31N5O — CID 110149687

IUPAC6-(imidazo[1,2-a]pyrazin-6-ylmethyl)-4-[(2-piperidin-1-ylphenyl)methyl]-1,4-oxazepane
SMILESc1ccc(N2CCCCC2)c(CN2CCOCC(Cc3cn4ccnc4cn3)C2)c1
InChIInChI=1S/C24H31N5O/c1-4-9-28(10-5-1)23-7-3-2-6-21(23)17-27-12-13-30-19-20(16-27)14-22-18-29-11-8-25-24(29)15-26-22/h2-3,6-8,11,15,18,20H,1,4-5,9-10,12-14,16-17,19H2
InChIKeyYFQUBHQZNNXZAI-UHFFFAOYSA-N
MW405.55 g/mol
LogP3.41
Rot. Bonds5

About 6-(imidazo[1,2-a]pyrazin-6-ylmethyl)-4-[(2-piperidin-1-ylphenyl)methyl]-1,4-oxazepane

6-(imidazo[1,2-a]pyrazin-6-ylmethyl)-4-[(2-piperidin-1-ylphenyl)methyl]-1,4-oxazepane (PubChem CID 110149687) has the molecular formula C24H31N5O and a molecular weight of 405.55 g/mol. Its IUPAC name is 6-(imidazo[1,2-a]pyrazin-6-ylmethyl)-4-[(2-piperidin-1-ylphenyl)methyl]-1,4-oxazepane.

Molecular Properties

Compound Name6-(imidazo[1,2-a]pyrazin-6-ylmethyl)-4-[(2-piperidin-1-ylphenyl)methyl]-1,4-oxazepane
PubChem CID110149687
Molecular FormulaC24H31N5O
Molecular Weight405.55 g/mol
Exact Mass405.25
IUPAC Name6-(imidazo[1,2-a]pyrazin-6-ylmethyl)-4-[(2-piperidin-1-ylphenyl)methyl]-1,4-oxazepane
SMILESc1ccc(N2CCCCC2)c(CN2CCOCC(Cc3cn4ccnc4cn3)C2)c1
InChIInChI=1S/C24H31N5O/c1-4-9-28(10-5-1)23-7-3-2-6-21(23)17-27-12-13-30-19-20(16-27)14-22-18-29-11-8-25-24(29)15-26-22/h2-3,6-8,11,15,18,20H,1,4-5,9-10,12-14,16-17,19H2
InChIKeyYFQUBHQZNNXZAI-UHFFFAOYSA-N
XLogP3.41
TPSA45.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.55
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-(imidazo[1,2-a]pyrazin-6-ylmethyl)-4-[(2-piperidin-1-ylphenyl)methyl]-1,4-oxazepane with MolForge

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Related Compounds

1-[(6R)-6-(imidazo[1,2-a]pyrazin-6-ylmethyl)-1,4-oxazepan-4-yl]-2-pyrrolidin-1-ylethanone
CID 124971721
[(6R)-6-(imidazo[1,2-a]pyrazin-6-ylmethyl)-1,4-oxazepan-4-yl]-pyridazin-4-ylmethanone
CID 125023457
[6-(imidazo[1,2-a]pyrazin-6-ylmethyl)-1,4-oxazepan-4-yl]-pyrimidin-5-ylmethanone
CID 110111617
[6-(imidazo[1,2-a]pyrazin-6-ylmethyl)-1,4-oxazepan-4-yl]-(6-methyl-2-pyridinyl)methanone
CID 110111511
[1-(2-fluorophenyl)cyclopentyl]-[(6S)-6-(imidazo[1,2-a]pyrazin-6-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 124960652
1-[(6S)-6-(imidazo[1,2-a]pyrazin-6-ylmethyl)-1,4-oxazepan-4-yl]-2-(oxan-4-yl)ethanone
CID 125016766
(6R)-4-[[2-(2-fluorophenyl)phenyl]methyl]-6-(imidazo[1,2-b]pyridazin-6-ylmethyl)-1,4-oxazepane
CID 125019751
[6-(imidazo[1,2-a]pyrazin-6-ylmethyl)-1,4-oxazepan-4-yl]-(1H-pyrazol-5-yl)methanone
CID 110111370
2-[[(6S)-6-(imidazo[1,2-b]pyridazin-6-ylmethyl)-1,4-oxazepan-4-yl]methyl]benzoic acid
CID 125006498
[(6R)-6-(imidazo[1,2-a]pyrazin-6-ylmethyl)-1,4-oxazepan-4-yl]-(6-methyl-3-pyridinyl)methanone
CID 125025016
(4-benzyl-1-methylpiperidin-4-yl)-[(6S)-6-(imidazo[1,2-a]pyrazin-6-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 124967659
(6S)-6-(imidazo[1,2-b]pyridazin-6-ylmethyl)-4-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]-1,4-oxazepane
CID 124992430

Frequently Asked Questions

What is the IUPAC name of 6-(imidazo[1,2-a]pyrazin-6-ylmethyl)-4-[(2-piperidin-1-ylphenyl)methyl]-1,4-oxazepane?
The IUPAC name of 6-(imidazo[1,2-a]pyrazin-6-ylmethyl)-4-[(2-piperidin-1-ylphenyl)methyl]-1,4-oxazepane (CID 110149687) is 6-(imidazo[1,2-a]pyrazin-6-ylmethyl)-4-[(2-piperidin-1-ylphenyl)methyl]-1,4-oxazepane.
What is the SMILES notation for 6-(imidazo[1,2-a]pyrazin-6-ylmethyl)-4-[(2-piperidin-1-ylphenyl)methyl]-1,4-oxazepane?
The canonical SMILES for 6-(imidazo[1,2-a]pyrazin-6-ylmethyl)-4-[(2-piperidin-1-ylphenyl)methyl]-1,4-oxazepane is c1ccc(N2CCCCC2)c(CN2CCOCC(Cc3cn4ccnc4cn3)C2)c1.
What is the InChIKey of 6-(imidazo[1,2-a]pyrazin-6-ylmethyl)-4-[(2-piperidin-1-ylphenyl)methyl]-1,4-oxazepane?
The InChIKey is YFQUBHQZNNXZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O/c1-4-9-28(10-5-1)23-7-3-2-6-21(23)17-27-12-13-30-19-20(16-27)14-22-18-29-11-8-25-24(29)15-26-22/h2-3,6-8,11,15,18,20H,1,4-5,9-10,12-14,16-17,19H2.
What are the key properties of 6-(imidazo[1,2-a]pyrazin-6-ylmethyl)-4-[(2-piperidin-1-ylphenyl)methyl]-1,4-oxazepane?
6-(imidazo[1,2-a]pyrazin-6-ylmethyl)-4-[(2-piperidin-1-ylphenyl)methyl]-1,4-oxazepane has a molecular weight of 405.55 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(imidazo[1,2-a]pyrazin-6-ylmethyl)-4-[(2-piperidin-1-ylphenyl)methyl]-1,4-oxazepane is sourced from PubChem (CID 110149687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).