1-[6-(imidazo[1,2-a]pyrazin-6-ylmethyl)-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]ethanone

C19H25N7O — CID 155985623

IUPAC1-[6-(imidazo[1,2-a]pyrazin-6-ylmethyl)-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]ethanone
SMILESCC(=O)N1CCN(Cc2nccn2C)CC(Cc2cn3ccnc3cn2)C1
InChIInChI=1S/C19H25N7O/c1-15(27)25-8-7-24(14-19-21-3-5-23(19)2)11-16(12-25)9-17-13-26-6-4-20-18(26)10-22-17/h3-6,10,13,16H,7-9,11-12,14H2,1-2H3
InChIKeyXKTZEEMXPARFEQ-UHFFFAOYSA-N
MW367.46 g/mol
LogP0.99
Rot. Bonds4

About 1-[6-(imidazo[1,2-a]pyrazin-6-ylmethyl)-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]ethanone

1-[6-(imidazo[1,2-a]pyrazin-6-ylmethyl)-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]ethanone (PubChem CID 155985623) has the molecular formula C19H25N7O and a molecular weight of 367.46 g/mol. Its IUPAC name is 1-[6-(imidazo[1,2-a]pyrazin-6-ylmethyl)-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]ethanone.

Molecular Properties

Compound Name1-[6-(imidazo[1,2-a]pyrazin-6-ylmethyl)-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]ethanone
PubChem CID155985623
Molecular FormulaC19H25N7O
Molecular Weight367.46 g/mol
Exact Mass367.21
IUPAC Name1-[6-(imidazo[1,2-a]pyrazin-6-ylmethyl)-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]ethanone
SMILESCC(=O)N1CCN(Cc2nccn2C)CC(Cc2cn3ccnc3cn2)C1
InChIInChI=1S/C19H25N7O/c1-15(27)25-8-7-24(14-19-21-3-5-23(19)2)11-16(12-25)9-17-13-26-6-4-20-18(26)10-22-17/h3-6,10,13,16H,7-9,11-12,14H2,1-2H3
InChIKeyXKTZEEMXPARFEQ-UHFFFAOYSA-N
XLogP0.99
TPSA71.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[6-hydroxy-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]ethanone
CID 72858575
1-[(6R)-6-(imidazo[1,2-a]pyrazin-6-ylmethyl)-1,4-oxazepan-4-yl]-2-pyrrolidin-1-ylethanone
CID 124971721
1-[(4S)-4-(imidazo[1,2-a]pyrazin-6-ylmethyl)azepan-1-yl]-2,2-diphenylpropan-1-one
CID 124979360
1-[(6S)-6-(imidazo[1,2-a]pyrazin-6-ylmethyl)-1,4-oxazepan-4-yl]-2-(oxan-4-yl)ethanone
CID 125016766
[6-(imidazo[1,2-a]pyrazin-6-ylmethyl)-1,4-oxazepan-4-yl]-(1H-pyrazol-5-yl)methanone
CID 110111370
[6-(imidazo[1,2-a]pyrazin-6-ylmethyl)-1,4-oxazepan-4-yl]-pyrimidin-5-ylmethanone
CID 110111617
[(6R)-6-(imidazo[1,2-a]pyrazin-6-ylmethyl)-1,4-oxazepan-4-yl]-pyridazin-4-ylmethanone
CID 125023457
(6R)-4-[(1-methylimidazol-2-yl)methyl]-6-[(5-methylpyrazin-2-yl)methyl]-1,4-oxazepane
CID 95848013
[(6R)-6-(imidazo[1,2-a]pyrazin-6-ylmethyl)-1,4-oxazepan-4-yl]-(6-methyl-3-pyridinyl)methanone
CID 125025016
1-[(6R)-4-[(4-chlorophenyl)methyl]-6-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]ethanone
CID 95815349
[(3R,5R)-1-[(1-methylimidazol-2-yl)methyl]-5-[(4-methylpiperazin-1-yl)methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 56853154
2-methyl-6-[[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]methyl]pyridine
CID 127246408

Frequently Asked Questions

What is the IUPAC name of 1-[6-(imidazo[1,2-a]pyrazin-6-ylmethyl)-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]ethanone?
The IUPAC name of 1-[6-(imidazo[1,2-a]pyrazin-6-ylmethyl)-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]ethanone (CID 155985623) is 1-[6-(imidazo[1,2-a]pyrazin-6-ylmethyl)-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]ethanone.
What is the SMILES notation for 1-[6-(imidazo[1,2-a]pyrazin-6-ylmethyl)-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]ethanone?
The canonical SMILES for 1-[6-(imidazo[1,2-a]pyrazin-6-ylmethyl)-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]ethanone is CC(=O)N1CCN(Cc2nccn2C)CC(Cc2cn3ccnc3cn2)C1.
What is the InChIKey of 1-[6-(imidazo[1,2-a]pyrazin-6-ylmethyl)-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]ethanone?
The InChIKey is XKTZEEMXPARFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7O/c1-15(27)25-8-7-24(14-19-21-3-5-23(19)2)11-16(12-25)9-17-13-26-6-4-20-18(26)10-22-17/h3-6,10,13,16H,7-9,11-12,14H2,1-2H3.
What are the key properties of 1-[6-(imidazo[1,2-a]pyrazin-6-ylmethyl)-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]ethanone?
1-[6-(imidazo[1,2-a]pyrazin-6-ylmethyl)-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]ethanone has a molecular weight of 367.46 g/mol, XLogP of 0.99, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(imidazo[1,2-a]pyrazin-6-ylmethyl)-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]ethanone is sourced from PubChem (CID 155985623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).