2-(2-fluorophenoxy)-3-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-3-yl]pyrazine

C20H22FN5O — CID 110256586

IUPAC2-(2-fluorophenoxy)-3-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-3-yl]pyrazine
SMILESCn1nccc1CN1CCCC(c2nccnc2Oc2ccccc2F)C1
InChIInChI=1S/C20H22FN5O/c1-25-16(8-9-24-25)14-26-12-4-5-15(13-26)19-20(23-11-10-22-19)27-18-7-3-2-6-17(18)21/h2-3,6-11,15H,4-5,12-14H2,1H3
InChIKeyFRBFQVYDYYJQFN-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.52
Rot. Bonds5

About 2-(2-fluorophenoxy)-3-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-3-yl]pyrazine

2-(2-fluorophenoxy)-3-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-3-yl]pyrazine (PubChem CID 110256586) has the molecular formula C20H22FN5O and a molecular weight of 367.43 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-3-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-3-yl]pyrazine.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-3-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-3-yl]pyrazine
PubChem CID110256586
Molecular FormulaC20H22FN5O
Molecular Weight367.43 g/mol
Exact Mass367.18
IUPAC Name2-(2-fluorophenoxy)-3-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-3-yl]pyrazine
SMILESCn1nccc1CN1CCCC(c2nccnc2Oc2ccccc2F)C1
InChIInChI=1S/C20H22FN5O/c1-25-16(8-9-24-25)14-26-12-4-5-15(13-26)19-20(23-11-10-22-19)27-18-7-3-2-6-17(18)21/h2-3,6-11,15H,4-5,12-14H2,1H3
InChIKeyFRBFQVYDYYJQFN-UHFFFAOYSA-N
XLogP3.52
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-fluorophenoxy)-1-[(2-methylpyrazol-3-yl)methyl]piperidine
CID 46981140
[(3R)-3-[3-(2-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-(oxan-4-yl)methanone
CID 95823091
2-[(2-methyl-3-pyridinyl)oxy]-3-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyrazine
CID 95843459
2-(2-methoxyphenoxy)-3-[(3S)-1-(1H-pyrazol-5-ylmethyl)piperidin-3-yl]pyrazine
CID 125003830
(1-ethylpyrazol-3-yl)-[3-[3-(2-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]methanone
CID 110256639
3-methyl-1-[(2-methylpyrazol-3-yl)methyl]piperidine
CID 129199078
4-[(2-methoxyphenyl)methyl]-2-methyl-6-[(3R)-1-[(2-methylpyrazol-3-yl)methyl]piperidin-3-yl]pyridine
CID 95814381
1-[(2-methylpyrazol-3-yl)methyl]-3-(1H-pyrazol-5-yl)piperidine
CID 134696298
[1-[(2-methylpyrazol-3-yl)methyl]piperidin-3-yl]methanol
CID 110225897
1-[4-[3-(2-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-2-pyrazol-1-ylethanone
CID 95823308
2-chloro-1-[3-[3-(2-chlorophenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 175658243
2-[(3R)-1-benzylpiperidin-3-yl]-3-(2-fluorophenyl)pyrazine
CID 95818585

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-3-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-3-yl]pyrazine?
The IUPAC name of 2-(2-fluorophenoxy)-3-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-3-yl]pyrazine (CID 110256586) is 2-(2-fluorophenoxy)-3-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-3-yl]pyrazine.
What is the SMILES notation for 2-(2-fluorophenoxy)-3-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-3-yl]pyrazine?
The canonical SMILES for 2-(2-fluorophenoxy)-3-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-3-yl]pyrazine is Cn1nccc1CN1CCCC(c2nccnc2Oc2ccccc2F)C1.
What is the InChIKey of 2-(2-fluorophenoxy)-3-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-3-yl]pyrazine?
The InChIKey is FRBFQVYDYYJQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5O/c1-25-16(8-9-24-25)14-26-12-4-5-15(13-26)19-20(23-11-10-22-19)27-18-7-3-2-6-17(18)21/h2-3,6-11,15H,4-5,12-14H2,1H3.
What are the key properties of 2-(2-fluorophenoxy)-3-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-3-yl]pyrazine?
2-(2-fluorophenoxy)-3-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-3-yl]pyrazine has a molecular weight of 367.43 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-3-[1-[(2-methylpyrazol-3-yl)methyl]piperidin-3-yl]pyrazine is sourced from PubChem (CID 110256586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).