1-(2,5-dihydropyrrol-1-yl)-2-[8-methyl-7-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]ethanone

C18H20N8O — CID 133140388

IUPAC1-(2,5-dihydropyrrol-1-yl)-2-[8-methyl-7-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]ethanone
SMILESCC1c2nc(CC(=O)N3CC=CC3)cn2CCN1c1ccc2nncn2n1
InChIInChI=1S/C18H20N8O/c1-13-18-20-14(10-17(27)23-6-2-3-7-23)11-24(18)8-9-25(13)16-5-4-15-21-19-12-26(15)22-16/h2-5,11-13H,6-10H2,1H3
InChIKeyJIQIDCDHLGKQLD-UHFFFAOYSA-N
MW364.41 g/mol
LogP0.84
Rot. Bonds3

About 1-(2,5-dihydropyrrol-1-yl)-2-[8-methyl-7-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]ethanone

1-(2,5-dihydropyrrol-1-yl)-2-[8-methyl-7-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]ethanone (PubChem CID 133140388) has the molecular formula C18H20N8O and a molecular weight of 364.41 g/mol. Its IUPAC name is 1-(2,5-dihydropyrrol-1-yl)-2-[8-methyl-7-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]ethanone.

Molecular Properties

Compound Name1-(2,5-dihydropyrrol-1-yl)-2-[8-methyl-7-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]ethanone
PubChem CID133140388
Molecular FormulaC18H20N8O
Molecular Weight364.41 g/mol
Exact Mass364.18
IUPAC Name1-(2,5-dihydropyrrol-1-yl)-2-[8-methyl-7-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]ethanone
SMILESCC1c2nc(CC(=O)N3CC=CC3)cn2CCN1c1ccc2nncn2n1
InChIInChI=1S/C18H20N8O/c1-13-18-20-14(10-17(27)23-6-2-3-7-23)11-24(18)8-9-25(13)16-5-4-15-21-19-12-26(15)22-16/h2-5,11-13H,6-10H2,1H3
InChIKeyJIQIDCDHLGKQLD-UHFFFAOYSA-N
XLogP0.84
TPSA84.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 131694246
1-[2-[(3R)-3-methyl-4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]acetyl]imidazolidin-2-one
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4-methyl-1-[8-methyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]pentan-1-one
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6-[(2R)-2-methyl-4-(3-methylsulfonylpropyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
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2-[3,5-bis(trifluoromethyl)phenyl]-1-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]ethanone
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CID 95287581
2-[7-(cyclobutanecarbonyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-1-morpholin-4-ylethanone
CID 131695268
2-[7-(cyclopentylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-1-(3,3-difluoroazetidin-1-yl)ethanone
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4,5-dimethyl-2-[[(3S)-3-methyl-4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methyl]-1,3-oxazole
CID 98761266
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2-(3,4-dimethoxyphenyl)-1-[2-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]ethanone
CID 155799452
2-[3-(difluoromethyl)-4-fluorophenyl]-1-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]ethanone
CID 162386637

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dihydropyrrol-1-yl)-2-[8-methyl-7-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]ethanone?
The IUPAC name of 1-(2,5-dihydropyrrol-1-yl)-2-[8-methyl-7-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]ethanone (CID 133140388) is 1-(2,5-dihydropyrrol-1-yl)-2-[8-methyl-7-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]ethanone.
What is the SMILES notation for 1-(2,5-dihydropyrrol-1-yl)-2-[8-methyl-7-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]ethanone?
The canonical SMILES for 1-(2,5-dihydropyrrol-1-yl)-2-[8-methyl-7-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]ethanone is CC1c2nc(CC(=O)N3CC=CC3)cn2CCN1c1ccc2nncn2n1.
What is the InChIKey of 1-(2,5-dihydropyrrol-1-yl)-2-[8-methyl-7-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]ethanone?
The InChIKey is JIQIDCDHLGKQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N8O/c1-13-18-20-14(10-17(27)23-6-2-3-7-23)11-24(18)8-9-25(13)16-5-4-15-21-19-12-26(15)22-16/h2-5,11-13H,6-10H2,1H3.
What are the key properties of 1-(2,5-dihydropyrrol-1-yl)-2-[8-methyl-7-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]ethanone?
1-(2,5-dihydropyrrol-1-yl)-2-[8-methyl-7-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]ethanone has a molecular weight of 364.41 g/mol, XLogP of 0.84, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dihydropyrrol-1-yl)-2-[8-methyl-7-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]ethanone is sourced from PubChem (CID 133140388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).