1-[3-(2-fluorophenyl)-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]piperazine;hydrochloride

C20H23ClFN5 — CID 68594989

IUPAC1-[3-(2-fluorophenyl)-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]piperazine;hydrochloride
SMILESCl.Cn1cc(CN2CCN(c3ncccc3-c3ccccc3F)CC2)cn1
InChIInChI=1S/C20H22FN5.ClH/c1-24-14-16(13-23-24)15-25-9-11-26(12-10-25)20-18(6-4-8-22-20)17-5-2-3-7-19(17)21;/h2-8,13-14H,9-12,15H2,1H3;1H
InChIKeyGEQSOECBPMMATF-UHFFFAOYSA-N
MW387.89 g/mol
LogP3.37
Rot. Bonds4

About 1-[3-(2-fluorophenyl)-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]piperazine;hydrochloride

1-[3-(2-fluorophenyl)-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]piperazine;hydrochloride (PubChem CID 68594989) has the molecular formula C20H23ClFN5 and a molecular weight of 387.89 g/mol. Its IUPAC name is 1-[3-(2-fluorophenyl)-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[3-(2-fluorophenyl)-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]piperazine;hydrochloride
PubChem CID68594989
Molecular FormulaC20H23ClFN5
Molecular Weight387.89 g/mol
Exact Mass387.16
IUPAC Name1-[3-(2-fluorophenyl)-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]piperazine;hydrochloride
SMILESCl.Cn1cc(CN2CCN(c3ncccc3-c3ccccc3F)CC2)cn1
InChIInChI=1S/C20H22FN5.ClH/c1-24-14-16(13-23-24)15-25-9-11-26(12-10-25)20-18(6-4-8-22-20)17-5-2-3-7-19(17)21;/h2-8,13-14H,9-12,15H2,1H3;1H
InChIKeyGEQSOECBPMMATF-UHFFFAOYSA-N
XLogP3.37
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.89
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-fluorophenyl)-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]piperazine;hydrochloride?
The IUPAC name of 1-[3-(2-fluorophenyl)-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]piperazine;hydrochloride (CID 68594989) is 1-[3-(2-fluorophenyl)-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[3-(2-fluorophenyl)-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]piperazine;hydrochloride?
The canonical SMILES for 1-[3-(2-fluorophenyl)-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]piperazine;hydrochloride is Cl.Cn1cc(CN2CCN(c3ncccc3-c3ccccc3F)CC2)cn1.
What is the InChIKey of 1-[3-(2-fluorophenyl)-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]piperazine;hydrochloride?
The InChIKey is GEQSOECBPMMATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5.ClH/c1-24-14-16(13-23-24)15-25-9-11-26(12-10-25)20-18(6-4-8-22-20)17-5-2-3-7-19(17)21;/h2-8,13-14H,9-12,15H2,1H3;1H.
What are the key properties of 1-[3-(2-fluorophenyl)-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]piperazine;hydrochloride?
1-[3-(2-fluorophenyl)-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]piperazine;hydrochloride has a molecular weight of 387.89 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-fluorophenyl)-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]piperazine;hydrochloride is sourced from PubChem (CID 68594989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).