1-[3-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone

C18H17FN6O — CID 166068433

IUPAC1-[3-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone
SMILESCC(=O)N1CCn2c(nc(-c3ccc(F)cc3)c2-c2ccnc(N)n2)C1
InChIInChI=1S/C18H17FN6O/c1-11(26)24-8-9-25-15(10-24)23-16(12-2-4-13(19)5-3-12)17(25)14-6-7-21-18(20)22-14/h2-7H,8-10H2,1H3,(H2,20,21,22)
InChIKeyPQELNDQAEXLWDV-UHFFFAOYSA-N
MW352.37 g/mol
LogP2.09
Rot. Bonds2

About 1-[3-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone

1-[3-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone (PubChem CID 166068433) has the molecular formula C18H17FN6O and a molecular weight of 352.37 g/mol. Its IUPAC name is 1-[3-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone.

Molecular Properties

Compound Name1-[3-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone
PubChem CID166068433
Molecular FormulaC18H17FN6O
Molecular Weight352.37 g/mol
Exact Mass352.14
IUPAC Name1-[3-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone
SMILESCC(=O)N1CCn2c(nc(-c3ccc(F)cc3)c2-c2ccnc(N)n2)C1
InChIInChI=1S/C18H17FN6O/c1-11(26)24-8-9-25-15(10-24)23-16(12-2-4-13(19)5-3-12)17(25)14-6-7-21-18(20)22-14/h2-7H,8-10H2,1H3,(H2,20,21,22)
InChIKeyPQELNDQAEXLWDV-UHFFFAOYSA-N
XLogP2.09
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone?
The IUPAC name of 1-[3-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone (CID 166068433) is 1-[3-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone.
What is the SMILES notation for 1-[3-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone?
The canonical SMILES for 1-[3-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone is CC(=O)N1CCn2c(nc(-c3ccc(F)cc3)c2-c2ccnc(N)n2)C1.
What is the InChIKey of 1-[3-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone?
The InChIKey is PQELNDQAEXLWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN6O/c1-11(26)24-8-9-25-15(10-24)23-16(12-2-4-13(19)5-3-12)17(25)14-6-7-21-18(20)22-14/h2-7H,8-10H2,1H3,(H2,20,21,22).
What are the key properties of 1-[3-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone?
1-[3-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone has a molecular weight of 352.37 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone is sourced from PubChem (CID 166068433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).