3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-2-fluorobenzonitrile

C14H13FN4 — CID 103912112

IUPAC3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-2-fluorobenzonitrile
SMILESN#Cc1cccc(CN2CCn3ccnc3C2)c1F
InChIInChI=1S/C14H13FN4/c15-14-11(8-16)2-1-3-12(14)9-18-6-7-19-5-4-17-13(19)10-18/h1-5H,6-7,9-10H2
InChIKeyQSELMVLQOAEWKD-UHFFFAOYSA-N
MW256.28 g/mol
LogP1.91
Rot. Bonds2

About 3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-2-fluorobenzonitrile

3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-2-fluorobenzonitrile (PubChem CID 103912112) has the molecular formula C14H13FN4 and a molecular weight of 256.28 g/mol. Its IUPAC name is 3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-2-fluorobenzonitrile.

Molecular Properties

Compound Name3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-2-fluorobenzonitrile
PubChem CID103912112
Molecular FormulaC14H13FN4
Molecular Weight256.28 g/mol
Exact Mass256.11
IUPAC Name3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-2-fluorobenzonitrile
SMILESN#Cc1cccc(CN2CCn3ccnc3C2)c1F
InChIInChI=1S/C14H13FN4/c15-14-11(8-16)2-1-3-12(14)9-18-6-7-19-5-4-17-13(19)10-18/h1-5H,6-7,9-10H2
InChIKeyQSELMVLQOAEWKD-UHFFFAOYSA-N
XLogP1.91
TPSA44.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)benzonitrile
CID 86774706
5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-1,2,3,4-tetrahydroisoquinoline
CID 104557510
2-fluoro-3-[(3-oxo-1,4-diazepan-1-yl)methyl]benzonitrile
CID 113350292
2-fluoro-3-[[4-(2-methylpropyl)piperazin-1-yl]methyl]benzonitrile
CID 103886041
3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-N-methylpyridin-2-amine
CID 55145384
7-[(3-bromophenyl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 55134729
3-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-3-fluorophenyl]prop-2-yn-1-amine
CID 63026444
3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-4-fluorobenzohydrazide
CID 107458485
2-fluoro-3-[(2-propylimidazol-1-yl)methyl]benzonitrile
CID 113350342
3-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-2-fluorobenzonitrile
CID 107114952
3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-N-propylpyridin-2-amine
CID 63024773
8-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)quinolin-5-amine
CID 63015654

Frequently Asked Questions

What is the IUPAC name of 3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-2-fluorobenzonitrile?
The IUPAC name of 3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-2-fluorobenzonitrile (CID 103912112) is 3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-2-fluorobenzonitrile.
What is the SMILES notation for 3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-2-fluorobenzonitrile?
The canonical SMILES for 3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-2-fluorobenzonitrile is N#Cc1cccc(CN2CCn3ccnc3C2)c1F.
What is the InChIKey of 3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-2-fluorobenzonitrile?
The InChIKey is QSELMVLQOAEWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4/c15-14-11(8-16)2-1-3-12(14)9-18-6-7-19-5-4-17-13(19)10-18/h1-5H,6-7,9-10H2.
What are the key properties of 3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-2-fluorobenzonitrile?
3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-2-fluorobenzonitrile has a molecular weight of 256.28 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-2-fluorobenzonitrile is sourced from PubChem (CID 103912112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).