2-(3-fluorophenyl)-3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyrazine

C20H22FN5 — CID 110255137

IUPAC2-(3-fluorophenyl)-3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyrazine
SMILESCn1cc(CN2CCCC(c3nccnc3-c3cccc(F)c3)C2)cn1
InChIInChI=1S/C20H22FN5/c1-25-12-15(11-24-25)13-26-9-3-5-17(14-26)20-19(22-7-8-23-20)16-4-2-6-18(21)10-16/h2,4,6-8,10-12,17H,3,5,9,13-14H2,1H3
InChIKeyJBMOMZHHQROTGJ-UHFFFAOYSA-N
MW351.43 g/mol
LogP3.40
Rot. Bonds4

About 2-(3-fluorophenyl)-3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyrazine

2-(3-fluorophenyl)-3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyrazine (PubChem CID 110255137) has the molecular formula C20H22FN5 and a molecular weight of 351.43 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyrazine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyrazine
PubChem CID110255137
Molecular FormulaC20H22FN5
Molecular Weight351.43 g/mol
Exact Mass351.19
IUPAC Name2-(3-fluorophenyl)-3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyrazine
SMILESCn1cc(CN2CCCC(c3nccnc3-c3cccc(F)c3)C2)cn1
InChIInChI=1S/C20H22FN5/c1-25-12-15(11-24-25)13-26-9-3-5-17(14-26)20-19(22-7-8-23-20)16-4-2-6-18(21)10-16/h2,4,6-8,10-12,17H,3,5,9,13-14H2,1H3
InChIKeyJBMOMZHHQROTGJ-UHFFFAOYSA-N
XLogP3.40
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyrazine?
The IUPAC name of 2-(3-fluorophenyl)-3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyrazine (CID 110255137) is 2-(3-fluorophenyl)-3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyrazine.
What is the SMILES notation for 2-(3-fluorophenyl)-3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyrazine?
The canonical SMILES for 2-(3-fluorophenyl)-3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyrazine is Cn1cc(CN2CCCC(c3nccnc3-c3cccc(F)c3)C2)cn1.
What is the InChIKey of 2-(3-fluorophenyl)-3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyrazine?
The InChIKey is JBMOMZHHQROTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5/c1-25-12-15(11-24-25)13-26-9-3-5-17(14-26)20-19(22-7-8-23-20)16-4-2-6-18(21)10-16/h2,4,6-8,10-12,17H,3,5,9,13-14H2,1H3.
What are the key properties of 2-(3-fluorophenyl)-3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyrazine?
2-(3-fluorophenyl)-3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyrazine has a molecular weight of 351.43 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyrazine is sourced from PubChem (CID 110255137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).