3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1-(2-fluorophenyl)-2-methylpropan-1-ol

C16H20FN3O — CID 115997149

IUPAC3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1-(2-fluorophenyl)-2-methylpropan-1-ol
SMILESCC(CN1CCn2ccnc2C1)C(O)c1ccccc1F
InChIInChI=1S/C16H20FN3O/c1-12(16(21)13-4-2-3-5-14(13)17)10-19-8-9-20-7-6-18-15(20)11-19/h2-7,12,16,21H,8-11H2,1H3
InChIKeyHZNJSVLKSQYRDR-UHFFFAOYSA-N
MW289.35 g/mol
LogP2.21
Rot. Bonds4

About 3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1-(2-fluorophenyl)-2-methylpropan-1-ol

3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1-(2-fluorophenyl)-2-methylpropan-1-ol (PubChem CID 115997149) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is 3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1-(2-fluorophenyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1-(2-fluorophenyl)-2-methylpropan-1-ol
PubChem CID115997149
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC Name3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1-(2-fluorophenyl)-2-methylpropan-1-ol
SMILESCC(CN1CCn2ccnc2C1)C(O)c1ccccc1F
InChIInChI=1S/C16H20FN3O/c1-12(16(21)13-4-2-3-5-14(13)17)10-19-8-9-20-7-6-18-15(20)11-19/h2-7,12,16,21H,8-11H2,1H3
InChIKeyHZNJSVLKSQYRDR-UHFFFAOYSA-N
XLogP2.21
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1-(2-fluorophenyl)-2-methylpropan-1-ol?
The IUPAC name of 3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1-(2-fluorophenyl)-2-methylpropan-1-ol (CID 115997149) is 3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1-(2-fluorophenyl)-2-methylpropan-1-ol.
What is the SMILES notation for 3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1-(2-fluorophenyl)-2-methylpropan-1-ol?
The canonical SMILES for 3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1-(2-fluorophenyl)-2-methylpropan-1-ol is CC(CN1CCn2ccnc2C1)C(O)c1ccccc1F.
What is the InChIKey of 3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1-(2-fluorophenyl)-2-methylpropan-1-ol?
The InChIKey is HZNJSVLKSQYRDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O/c1-12(16(21)13-4-2-3-5-14(13)17)10-19-8-9-20-7-6-18-15(20)11-19/h2-7,12,16,21H,8-11H2,1H3.
What are the key properties of 3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1-(2-fluorophenyl)-2-methylpropan-1-ol?
3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1-(2-fluorophenyl)-2-methylpropan-1-ol has a molecular weight of 289.35 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 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-yl)-1-(2-fluorophenyl)-2-methylpropan-1-ol is sourced from PubChem (CID 115997149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).