1-[4-[3-(2-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-2-pyrazol-1-ylethanone

C20H20FN5O2 — CID 95823308

IUPAC1-[4-[3-(2-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-2-pyrazol-1-ylethanone
SMILESO=C(Cn1cccn1)N1CCC(c2nccnc2Oc2ccccc2F)CC1
InChIInChI=1S/C20H20FN5O2/c21-16-4-1-2-5-17(16)28-20-19(22-9-10-23-20)15-6-12-25(13-7-15)18(27)14-26-11-3-8-24-26/h1-5,8-11,15H,6-7,12-14H2
InChIKeyVEYUEFYQCUTLJG-UHFFFAOYSA-N
MW381.41 g/mol
LogP3.01
Rot. Bonds5

About 1-[4-[3-(2-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-2-pyrazol-1-ylethanone

1-[4-[3-(2-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-2-pyrazol-1-ylethanone (PubChem CID 95823308) has the molecular formula C20H20FN5O2 and a molecular weight of 381.41 g/mol. Its IUPAC name is 1-[4-[3-(2-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-2-pyrazol-1-ylethanone.

Molecular Properties

Compound Name1-[4-[3-(2-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-2-pyrazol-1-ylethanone
PubChem CID95823308
Molecular FormulaC20H20FN5O2
Molecular Weight381.41 g/mol
Exact Mass381.16
IUPAC Name1-[4-[3-(2-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-2-pyrazol-1-ylethanone
SMILESO=C(Cn1cccn1)N1CCC(c2nccnc2Oc2ccccc2F)CC1
InChIInChI=1S/C20H20FN5O2/c21-16-4-1-2-5-17(16)28-20-19(22-9-10-23-20)15-6-12-25(13-7-15)18(27)14-26-11-3-8-24-26/h1-5,8-11,15H,6-7,12-14H2
InChIKeyVEYUEFYQCUTLJG-UHFFFAOYSA-N
XLogP3.01
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(3R)-3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]-2-pyrazol-1-ylethanone
CID 95823286
(1-ethylpyrazol-3-yl)-[3-[3-(2-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]methanone
CID 110256639
1-[(3S)-3-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-2-pyrazol-1-ylethanone
CID 95823289
[(3R)-3-[3-(2-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-(oxan-4-yl)methanone
CID 95823091
1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-pyrazol-1-ylethanone
CID 56822661
1-[4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-2-methoxyethanone
CID 95822487
(1-ethylpyrazol-3-yl)-[4-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]methanone
CID 95823174
2-[4-[3-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]acetamide
CID 95828024
1-[4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-2-(methylamino)ethanone
CID 95823494
1-(1,1-dioxo-7-phenyl-1,4-thiazepan-4-yl)-2-pyrazol-1-ylethanone
CID 121191984
1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]-2-pyrazol-1-ylethanone
CID 90566486
[4-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 95822950

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(2-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-2-pyrazol-1-ylethanone?
The IUPAC name of 1-[4-[3-(2-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-2-pyrazol-1-ylethanone (CID 95823308) is 1-[4-[3-(2-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-2-pyrazol-1-ylethanone.
What is the SMILES notation for 1-[4-[3-(2-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-2-pyrazol-1-ylethanone?
The canonical SMILES for 1-[4-[3-(2-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-2-pyrazol-1-ylethanone is O=C(Cn1cccn1)N1CCC(c2nccnc2Oc2ccccc2F)CC1.
What is the InChIKey of 1-[4-[3-(2-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-2-pyrazol-1-ylethanone?
The InChIKey is VEYUEFYQCUTLJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O2/c21-16-4-1-2-5-17(16)28-20-19(22-9-10-23-20)15-6-12-25(13-7-15)18(27)14-26-11-3-8-24-26/h1-5,8-11,15H,6-7,12-14H2.
What are the key properties of 1-[4-[3-(2-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-2-pyrazol-1-ylethanone?
1-[4-[3-(2-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-2-pyrazol-1-ylethanone has a molecular weight of 381.41 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(2-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-2-pyrazol-1-ylethanone is sourced from PubChem (CID 95823308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).