3-(5-amino-3-methoxypyrazin-2-yl)-1-(4-fluorophenyl)propan-1-one

C14H14FN3O2 — CID 158377289

IUPAC3-(5-amino-3-methoxypyrazin-2-yl)-1-(4-fluorophenyl)propan-1-one
SMILESCOc1nc(N)cnc1CCC(=O)c1ccc(F)cc1
InChIInChI=1S/C14H14FN3O2/c1-20-14-11(17-8-13(16)18-14)6-7-12(19)9-2-4-10(15)5-3-9/h2-5,8H,6-7H2,1H3,(H2,16,18)
InChIKeyPZOMBKMBDPOPTM-UHFFFAOYSA-N
MW275.28 g/mol
LogP2.02
Rot. Bonds5

About 3-(5-amino-3-methoxypyrazin-2-yl)-1-(4-fluorophenyl)propan-1-one

3-(5-amino-3-methoxypyrazin-2-yl)-1-(4-fluorophenyl)propan-1-one (PubChem CID 158377289) has the molecular formula C14H14FN3O2 and a molecular weight of 275.28 g/mol. Its IUPAC name is 3-(5-amino-3-methoxypyrazin-2-yl)-1-(4-fluorophenyl)propan-1-one.

Molecular Properties

Compound Name3-(5-amino-3-methoxypyrazin-2-yl)-1-(4-fluorophenyl)propan-1-one
PubChem CID158377289
Molecular FormulaC14H14FN3O2
Molecular Weight275.28 g/mol
Exact Mass275.11
IUPAC Name3-(5-amino-3-methoxypyrazin-2-yl)-1-(4-fluorophenyl)propan-1-one
SMILESCOc1nc(N)cnc1CCC(=O)c1ccc(F)cc1
InChIInChI=1S/C14H14FN3O2/c1-20-14-11(17-8-13(16)18-14)6-7-12(19)9-2-4-10(15)5-3-9/h2-5,8H,6-7H2,1H3,(H2,16,18)
InChIKeyPZOMBKMBDPOPTM-UHFFFAOYSA-N
XLogP2.02
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-fluorophenyl)-1-(4-methoxyphenyl)propan-1-one
CID 11586950
3-(2-amino-3-methoxyphenyl)-1-(4-fluorophenyl)propan-1-one
CID 11372612
2-methoxyethyl 4-(4-fluorophenyl)-4-oxobutanoate
CID 78830805
4-(4-fluorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]-4-oxobutanamide
CID 8934923
1-(4-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone
CID 62620937
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate
CID 2371103
1-(4-fluorophenyl)-3-(2-methoxyphenoxy)propan-1-one
CID 43793632
1-(4-fluorophenyl)-2-[2-(4-methoxyphenyl)ethylamino]ethanone
CID 82101484
1-(4-fluorophenyl)-5-methoxyhexan-1-one
CID 145375839
1-(4-fluorophenyl)-4-methoxyheptane-1,6-dione;methane
CID 160891216
1,9-bis(4-fluorophenyl)nonane-1,9-dione
CID 68637188
3-anilino-1-(4-methoxyphenyl)propan-1-one
CID 766931

Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-3-methoxypyrazin-2-yl)-1-(4-fluorophenyl)propan-1-one?
The IUPAC name of 3-(5-amino-3-methoxypyrazin-2-yl)-1-(4-fluorophenyl)propan-1-one (CID 158377289) is 3-(5-amino-3-methoxypyrazin-2-yl)-1-(4-fluorophenyl)propan-1-one.
What is the SMILES notation for 3-(5-amino-3-methoxypyrazin-2-yl)-1-(4-fluorophenyl)propan-1-one?
The canonical SMILES for 3-(5-amino-3-methoxypyrazin-2-yl)-1-(4-fluorophenyl)propan-1-one is COc1nc(N)cnc1CCC(=O)c1ccc(F)cc1.
What is the InChIKey of 3-(5-amino-3-methoxypyrazin-2-yl)-1-(4-fluorophenyl)propan-1-one?
The InChIKey is PZOMBKMBDPOPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O2/c1-20-14-11(17-8-13(16)18-14)6-7-12(19)9-2-4-10(15)5-3-9/h2-5,8H,6-7H2,1H3,(H2,16,18).
What are the key properties of 3-(5-amino-3-methoxypyrazin-2-yl)-1-(4-fluorophenyl)propan-1-one?
3-(5-amino-3-methoxypyrazin-2-yl)-1-(4-fluorophenyl)propan-1-one has a molecular weight of 275.28 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-3-methoxypyrazin-2-yl)-1-(4-fluorophenyl)propan-1-one is sourced from PubChem (CID 158377289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).