1-[4-[8-(butylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]-2-cyclopropylethanone

C21H24N4O — CID 161353773

IUPAC1-[4-[8-(butylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]-2-cyclopropylethanone
SMILESCCCCNc1nccn2c(-c3ccc(C(=O)CC4CC4)cc3)cnc12
InChIInChI=1S/C21H24N4O/c1-2-3-10-22-20-21-24-14-18(25(21)12-11-23-20)16-6-8-17(9-7-16)19(26)13-15-4-5-15/h6-9,11-12,14-15H,2-5,10,13H2,1H3,(H,22,23)
InChIKeyVOGMIJQNIUFJEY-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.59
Rot. Bonds8

About 1-[4-[8-(butylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]-2-cyclopropylethanone

1-[4-[8-(butylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]-2-cyclopropylethanone (PubChem CID 161353773) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 1-[4-[8-(butylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]-2-cyclopropylethanone.

Molecular Properties

Compound Name1-[4-[8-(butylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]-2-cyclopropylethanone
PubChem CID161353773
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name1-[4-[8-(butylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]-2-cyclopropylethanone
SMILESCCCCNc1nccn2c(-c3ccc(C(=O)CC4CC4)cc3)cnc12
InChIInChI=1S/C21H24N4O/c1-2-3-10-22-20-21-24-14-18(25(21)12-11-23-20)16-6-8-17(9-7-16)19(26)13-15-4-5-15/h6-9,11-12,14-15H,2-5,10,13H2,1H3,(H,22,23)
InChIKeyVOGMIJQNIUFJEY-UHFFFAOYSA-N
XLogP4.59
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-4-[8-(propylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 118732116
N-cyclopropyl-4-[8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 57381444
N-cyclopropyl-4-[8-[3-(2-oxopyrrolidin-1-yl)propylamino]imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 57379600
N-cyclopropyl-4-[8-(3-methoxypropylamino)imidazo[1,2-a]pyrazin-3-yl]-2-methylbenzamide
CID 67975867
2-cyclopropyl-1-[4-[4-[3-(dimethylamino)propylamino]imidazo[1,2-a]quinoxalin-1-yl]phenyl]ethanone
CID 147534440
2-chloro-N-cyclopropyl-4-[8-(3-methoxypropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 57380549
3-[4-[1-(cyclopropylamino)ethenyl]phenyl]-N-(2-methylpropyl)imidazo[1,2-a]pyrazin-8-amine
CID 153366204
1-[3-[8-(3-methoxypropylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]ethanone
CID 126474461
2-chloro-N-cyclopropyl-4-[8-(2-hydroxyethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 123742329
N-(cyclopropylmethyl)-3-pyridin-3-ylimidazo[1,2-a]pyrazin-8-amine
CID 126472770
N-cyclopentyl-4-(8-methylsulfanylimidazo[1,2-a]pyrazin-3-yl)benzamide
CID 118273149
N-cyclopropyl-2-methyl-4-[8-(1H-pyrazol-5-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 57382091

Frequently Asked Questions

What is the IUPAC name of 1-[4-[8-(butylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]-2-cyclopropylethanone?
The IUPAC name of 1-[4-[8-(butylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]-2-cyclopropylethanone (CID 161353773) is 1-[4-[8-(butylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]-2-cyclopropylethanone.
What is the SMILES notation for 1-[4-[8-(butylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]-2-cyclopropylethanone?
The canonical SMILES for 1-[4-[8-(butylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]-2-cyclopropylethanone is CCCCNc1nccn2c(-c3ccc(C(=O)CC4CC4)cc3)cnc12.
What is the InChIKey of 1-[4-[8-(butylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]-2-cyclopropylethanone?
The InChIKey is VOGMIJQNIUFJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-2-3-10-22-20-21-24-14-18(25(21)12-11-23-20)16-6-8-17(9-7-16)19(26)13-15-4-5-15/h6-9,11-12,14-15H,2-5,10,13H2,1H3,(H,22,23).
What are the key properties of 1-[4-[8-(butylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]-2-cyclopropylethanone?
1-[4-[8-(butylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]-2-cyclopropylethanone has a molecular weight of 348.45 g/mol, XLogP of 4.59, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[8-(butylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]-2-cyclopropylethanone is sourced from PubChem (CID 161353773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).