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

C20H22FN5 — CID 59321981

IUPAC1-[2-(4-fluorophenyl)-3-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]piperazine
SMILESCn1cc(CN2CCN(c3cccnc3-c3ccc(F)cc3)CC2)cn1
InChIInChI=1S/C20H22FN5/c1-24-14-16(13-23-24)15-25-9-11-26(12-10-25)19-3-2-8-22-20(19)17-4-6-18(21)7-5-17/h2-8,13-14H,9-12,15H2,1H3
InChIKeyCJSLVRINLBUOPR-UHFFFAOYSA-N
MW351.43 g/mol
LogP2.94
Rot. Bonds4

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

1-[2-(4-fluorophenyl)-3-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]piperazine (PubChem CID 59321981) has the molecular formula C20H22FN5 and a molecular weight of 351.43 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)-3-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)-3-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]piperazine
PubChem CID59321981
Molecular FormulaC20H22FN5
Molecular Weight351.43 g/mol
Exact Mass351.19
IUPAC Name1-[2-(4-fluorophenyl)-3-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]piperazine
SMILESCn1cc(CN2CCN(c3cccnc3-c3ccc(F)cc3)CC2)cn1
InChIInChI=1S/C20H22FN5/c1-24-14-16(13-23-24)15-25-9-11-26(12-10-25)19-3-2-8-22-20(19)17-4-6-18(21)7-5-17/h2-8,13-14H,9-12,15H2,1H3
InChIKeyCJSLVRINLBUOPR-UHFFFAOYSA-N
XLogP2.94
TPSA37.19 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 ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-fluoro-2-methylphenyl)-3-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazine;hydrochloride
CID 68596307
1-[3-(2-fluorophenyl)-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]piperazine;hydrochloride
CID 68594989
(2R)-1-[4-[[4-[3-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]methyl]pyrazol-1-yl]-3-methylbutan-2-ol;hydrochloride
CID 68594772
1-[2-[4-(1-methylpyrazol-4-yl)phenyl]-3-pyridinyl]-4-pyridin-4-ylpiperazine
CID 121400777
1,1,1-trifluoro-3-[4-[[4-[3-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]methyl]pyrazol-1-yl]propan-2-ol
CID 59321888
2-chloro-3-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyrazine
CID 86641657
4-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyridin-3-amine
CID 62127614
2-(4-fluorophenyl)-3-[4-(1H-pyrazol-4-ylmethyl)piperazin-1-yl]pyrazine;hydrochloride
CID 68597368
2-[4-[(5-chloro-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-3-(4-fluorophenyl)pyrazine
CID 59321838
4-fluoro-N-[2-[4-[2-[4-(methoxymethyl)phenyl]-3-pyridinyl]piperazin-1-yl]ethyl]-N-methylbenzenesulfonamide;hydrochloride
CID 67367868
N-[2-[4-[2-[4-(cyanomethyl)phenyl]-3-pyridinyl]piperazin-1-yl]ethyl]-N,1-dimethylpyrazole-4-sulfonamide
CID 59252207
5-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyridin-2-amine
CID 62127280

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)-3-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]piperazine?
The IUPAC name of 1-[2-(4-fluorophenyl)-3-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]piperazine (CID 59321981) is 1-[2-(4-fluorophenyl)-3-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]piperazine.
What is the SMILES notation for 1-[2-(4-fluorophenyl)-3-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]piperazine?
The canonical SMILES for 1-[2-(4-fluorophenyl)-3-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]piperazine is Cn1cc(CN2CCN(c3cccnc3-c3ccc(F)cc3)CC2)cn1.
What is the InChIKey of 1-[2-(4-fluorophenyl)-3-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]piperazine?
The InChIKey is CJSLVRINLBUOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5/c1-24-14-16(13-23-24)15-25-9-11-26(12-10-25)19-3-2-8-22-20(19)17-4-6-18(21)7-5-17/h2-8,13-14H,9-12,15H2,1H3.
What are the key properties of 1-[2-(4-fluorophenyl)-3-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]piperazine?
1-[2-(4-fluorophenyl)-3-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]piperazine has a molecular weight of 351.43 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)-3-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]piperazine is sourced from PubChem (CID 59321981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).