1-[3-[8-(3-methoxypropylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]ethanone

C18H20N4O2 — CID 126474461

IUPAC1-[3-[8-(3-methoxypropylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]ethanone
SMILESCOCCCNc1nccn2c(-c3cccc(C(C)=O)c3)cnc12
InChIInChI=1S/C18H20N4O2/c1-13(23)14-5-3-6-15(11-14)16-12-21-18-17(19-7-4-10-24-2)20-8-9-22(16)18/h3,5-6,8-9,11-12H,4,7,10H2,1-2H3,(H,19,20)
InChIKeyDNLZRADLCJGJAO-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.05
Rot. Bonds7

About 1-[3-[8-(3-methoxypropylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]ethanone

1-[3-[8-(3-methoxypropylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]ethanone (PubChem CID 126474461) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 1-[3-[8-(3-methoxypropylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[8-(3-methoxypropylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]ethanone
PubChem CID126474461
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name1-[3-[8-(3-methoxypropylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]ethanone
SMILESCOCCCNc1nccn2c(-c3cccc(C(C)=O)c3)cnc12
InChIInChI=1S/C18H20N4O2/c1-13(23)14-5-3-6-15(11-14)16-12-21-18-17(19-7-4-10-24-2)20-8-9-22(16)18/h3,5-6,8-9,11-12H,4,7,10H2,1-2H3,(H,19,20)
InChIKeyDNLZRADLCJGJAO-UHFFFAOYSA-N
XLogP3.05
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-3-(3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 46241898
1-[3-[8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]ethanone
CID 126473351
N-cyclopropyl-4-[8-(3-methoxypropylamino)imidazo[1,2-a]pyrazin-3-yl]-2-methylbenzamide
CID 67975867
2-chloro-N-cyclopropyl-4-[8-(3-methoxypropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 57380549
N-(2-hydroxyethyl)-3-[8-(4-methoxyanilino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 46240955
N-[3-[8-[(3,4,5-trimethoxyphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenyl]acetamide
CID 126472344
3-[8-(furan-2-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]-N-(2-hydroxyethyl)benzamide
CID 126473545
1-[3-[2-(2-methoxyethylamino)pyrimidin-5-yl]phenyl]ethanone
CID 163344818
N-cyclopropyl-4-[8-(propylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 118732116
1-[4-[8-(butylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]-2-cyclopropylethanone
CID 161353773
2-chloro-N-cyclopropyl-4-[8-(2-hydroxyethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 123742329
(E)-3-[3-[8-(cyclopropylmethylamino)imidazo[1,2-a]pyrazin-5-yl]phenyl]prop-2-enoic acid
CID 126475364

Frequently Asked Questions

What is the IUPAC name of 1-[3-[8-(3-methoxypropylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]ethanone?
The IUPAC name of 1-[3-[8-(3-methoxypropylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]ethanone (CID 126474461) is 1-[3-[8-(3-methoxypropylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]ethanone.
What is the SMILES notation for 1-[3-[8-(3-methoxypropylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]ethanone?
The canonical SMILES for 1-[3-[8-(3-methoxypropylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]ethanone is COCCCNc1nccn2c(-c3cccc(C(C)=O)c3)cnc12.
What is the InChIKey of 1-[3-[8-(3-methoxypropylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]ethanone?
The InChIKey is DNLZRADLCJGJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-13(23)14-5-3-6-15(11-14)16-12-21-18-17(19-7-4-10-24-2)20-8-9-22(16)18/h3,5-6,8-9,11-12H,4,7,10H2,1-2H3,(H,19,20).
What are the key properties of 1-[3-[8-(3-methoxypropylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]ethanone?
1-[3-[8-(3-methoxypropylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]ethanone has a molecular weight of 324.38 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[8-(3-methoxypropylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]ethanone is sourced from PubChem (CID 126474461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).