3-(6-fluoro-3,4-dihydropyridin-3-yl)-7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine

C12H15FN4 — CID 70259117

IUPAC3-(6-fluoro-3,4-dihydropyridin-3-yl)-7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESCN1CCn2c(C3C=NC(F)=CC3)cnc2C1
InChIInChI=1S/C12H15FN4/c1-16-4-5-17-10(7-15-12(17)8-16)9-2-3-11(13)14-6-9/h3,6-7,9H,2,4-5,8H2,1H3
InChIKeyMYESECSXBOQVSQ-UHFFFAOYSA-N
MW234.28 g/mol
LogP1.70
Rot. Bonds1

About 3-(6-fluoro-3,4-dihydropyridin-3-yl)-7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine

3-(6-fluoro-3,4-dihydropyridin-3-yl)-7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (PubChem CID 70259117) has the molecular formula C12H15FN4 and a molecular weight of 234.28 g/mol. Its IUPAC name is 3-(6-fluoro-3,4-dihydropyridin-3-yl)-7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name3-(6-fluoro-3,4-dihydropyridin-3-yl)-7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
PubChem CID70259117
Molecular FormulaC12H15FN4
Molecular Weight234.28 g/mol
Exact Mass234.13
IUPAC Name3-(6-fluoro-3,4-dihydropyridin-3-yl)-7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESCN1CCn2c(C3C=NC(F)=CC3)cnc2C1
InChIInChI=1S/C12H15FN4/c1-16-4-5-17-10(7-15-12(17)8-16)9-2-3-11(13)14-6-9/h3,6-7,9H,2,4-5,8H2,1H3
InChIKeyMYESECSXBOQVSQ-UHFFFAOYSA-N
XLogP1.70
TPSA33.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1-[2-(7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)ethyl]cyclopropan-1-amine
CID 105476639
2-(methylamino)-1-(7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)ethanone
CID 96615896
3,7-dimethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;ethane
CID 144883355
7-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 83381628
1-cyclopropyl-2-[6-(7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)isoquinolin-3-yl]ethanone
CID 153047803
3,7-di(propan-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 176646471
2-methyl-4-[[3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,3-thiazole;tris(2,2,2-trifluoroacetic acid)
CID 155854668
5-chloro-4-(7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)pyrimidin-2-amine;oxan-3-ol
CID 171659515
butane;7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 144770368
3-[(4-methylpiperazin-1-yl)methyl]-7-(2-phenylethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid)
CID 118747058
7-[(4-fluorophenyl)methyl]-3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;tris(2,2,2-trifluoroacetic acid)
CID 155859361
6-fluoro-7-(4-methylpiperazin-1-yl)quinoxaline
CID 15312350

Frequently Asked Questions

What is the IUPAC name of 3-(6-fluoro-3,4-dihydropyridin-3-yl)-7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The IUPAC name of 3-(6-fluoro-3,4-dihydropyridin-3-yl)-7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (CID 70259117) is 3-(6-fluoro-3,4-dihydropyridin-3-yl)-7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.
What is the SMILES notation for 3-(6-fluoro-3,4-dihydropyridin-3-yl)-7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The canonical SMILES for 3-(6-fluoro-3,4-dihydropyridin-3-yl)-7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is CN1CCn2c(C3C=NC(F)=CC3)cnc2C1.
What is the InChIKey of 3-(6-fluoro-3,4-dihydropyridin-3-yl)-7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The InChIKey is MYESECSXBOQVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4/c1-16-4-5-17-10(7-15-12(17)8-16)9-2-3-11(13)14-6-9/h3,6-7,9H,2,4-5,8H2,1H3.
What are the key properties of 3-(6-fluoro-3,4-dihydropyridin-3-yl)-7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
3-(6-fluoro-3,4-dihydropyridin-3-yl)-7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine has a molecular weight of 234.28 g/mol, XLogP of 1.70, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluoro-3,4-dihydropyridin-3-yl)-7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is sourced from PubChem (CID 70259117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).