N-[[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3,5-difluorophenyl]methyl]ethanamine

C15H18F2N4 — CID 63077696

IUPACN-[[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3,5-difluorophenyl]methyl]ethanamine
SMILESCCNCc1cc(F)c(N2CCn3ccnc3C2)c(F)c1
InChIInChI=1S/C15H18F2N4/c1-2-18-9-11-7-12(16)15(13(17)8-11)21-6-5-20-4-3-19-14(20)10-21/h3-4,7-8,18H,2,5-6,9-10H2,1H3
InChIKeySFAXUVRVZUCAMS-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.29
Rot. Bonds4

About N-[[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3,5-difluorophenyl]methyl]ethanamine

N-[[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3,5-difluorophenyl]methyl]ethanamine (PubChem CID 63077696) has the molecular formula C15H18F2N4 and a molecular weight of 292.33 g/mol. Its IUPAC name is N-[[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3,5-difluorophenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3,5-difluorophenyl]methyl]ethanamine
PubChem CID63077696
Molecular FormulaC15H18F2N4
Molecular Weight292.33 g/mol
Exact Mass292.15
IUPAC NameN-[[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3,5-difluorophenyl]methyl]ethanamine
SMILESCCNCc1cc(F)c(N2CCn3ccnc3C2)c(F)c1
InChIInChI=1S/C15H18F2N4/c1-2-18-9-11-7-12(16)15(13(17)8-11)21-6-5-20-4-3-19-14(20)10-21/h3-4,7-8,18H,2,5-6,9-10H2,1H3
InChIKeySFAXUVRVZUCAMS-UHFFFAOYSA-N
XLogP2.29
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-methylphenyl]methyl]ethanamine
CID 63026595
1-[3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-fluorophenyl]-N-methylmethanamine
CID 106530973
N-[[3-chloro-6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-pyridinyl]methyl]ethanamine
CID 63026350
1-[4-(ethylaminomethyl)-2,6-difluorophenyl]-3-methylpyrrolidin-3-ol
CID 103356930
N-[(3,5-difluoro-4-thiomorpholin-4-ylphenyl)methyl]ethanamine
CID 63051774
N-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3,5-difluorophenyl]methyl]ethanamine
CID 63051748
N-[[5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)furan-3-yl]methyl]ethanamine
CID 55143655
N-[[3,5-difluoro-4-(3,4,5-trimethylpiperazin-1-yl)phenyl]methyl]ethanamine
CID 114538745
N-[[3,5-difluoro-4-(1,4-oxazepan-4-yl)phenyl]methyl]ethanamine
CID 63075776
7-[2-(bromomethyl)-6-fluorophenyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 114067824
N-[[4-(2,6-dimethylmorpholin-4-yl)-3,5-difluorophenyl]methyl]ethanamine
CID 63051412
N-[[6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)pyridazin-3-yl]methyl]propan-1-amine
CID 63026518

Frequently Asked Questions

What is the IUPAC name of N-[[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3,5-difluorophenyl]methyl]ethanamine?
The IUPAC name of N-[[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3,5-difluorophenyl]methyl]ethanamine (CID 63077696) is N-[[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3,5-difluorophenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3,5-difluorophenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3,5-difluorophenyl]methyl]ethanamine is CCNCc1cc(F)c(N2CCn3ccnc3C2)c(F)c1.
What is the InChIKey of N-[[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3,5-difluorophenyl]methyl]ethanamine?
The InChIKey is SFAXUVRVZUCAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N4/c1-2-18-9-11-7-12(16)15(13(17)8-11)21-6-5-20-4-3-19-14(20)10-21/h3-4,7-8,18H,2,5-6,9-10H2,1H3.
What are the key properties of N-[[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3,5-difluorophenyl]methyl]ethanamine?
N-[[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3,5-difluorophenyl]methyl]ethanamine has a molecular weight of 292.33 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3,5-difluorophenyl]methyl]ethanamine is sourced from PubChem (CID 63077696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).