1-[3-(2-fluorophenyl)-2-pyridinyl]-4-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]piperazine;hydrochloride

C21H25ClFN5 — CID 68594182

IUPAC1-[3-(2-fluorophenyl)-2-pyridinyl]-4-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]piperazine;hydrochloride
SMILESCc1[nH]ncc1C(C)N1CCN(c2ncccc2-c2ccccc2F)CC1.Cl
InChIInChI=1S/C21H24FN5.ClH/c1-15-19(14-24-25-15)16(2)26-10-12-27(13-11-26)21-18(7-5-9-23-21)17-6-3-4-8-20(17)22;/h3-9,14,16H,10-13H2,1-2H3,(H,24,25);1H
InChIKeyNJBVLQXFRCMSHC-UHFFFAOYSA-N
MW401.92 g/mol
LogP4.22
Rot. Bonds4

About 1-[3-(2-fluorophenyl)-2-pyridinyl]-4-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]piperazine;hydrochloride

1-[3-(2-fluorophenyl)-2-pyridinyl]-4-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]piperazine;hydrochloride (PubChem CID 68594182) has the molecular formula C21H25ClFN5 and a molecular weight of 401.92 g/mol. Its IUPAC name is 1-[3-(2-fluorophenyl)-2-pyridinyl]-4-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[3-(2-fluorophenyl)-2-pyridinyl]-4-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]piperazine;hydrochloride
PubChem CID68594182
Molecular FormulaC21H25ClFN5
Molecular Weight401.92 g/mol
Exact Mass401.18
IUPAC Name1-[3-(2-fluorophenyl)-2-pyridinyl]-4-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]piperazine;hydrochloride
SMILESCc1[nH]ncc1C(C)N1CCN(c2ncccc2-c2ccccc2F)CC1.Cl
InChIInChI=1S/C21H24FN5.ClH/c1-15-19(14-24-25-15)16(2)26-10-12-27(13-11-26)21-18(7-5-9-23-21)17-6-3-4-8-20(17)22;/h3-9,14,16H,10-13H2,1-2H3,(H,24,25);1H
InChIKeyNJBVLQXFRCMSHC-UHFFFAOYSA-N
XLogP4.22
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.92
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]-4-[3-[3-(trifluoromethyl)phenyl]-2-pyridinyl]piperazine
CID 68595083
1-[(4-fluorophenyl)-(5-methyl-1H-pyrazol-4-yl)methyl]-4-[3-(4-fluorophenyl)-2-pyridinyl]piperazine;hydrochloride
CID 68596141
1-[3-(2-fluorophenyl)-2-pyridinyl]-4-[(1-methylpyrazol-4-yl)methyl]piperazine;hydrochloride
CID 68594989
[2-fluoro-4-[3-[4-[(5-methyl-1H-pyrazol-4-yl)-phenylmethyl]piperazin-1-yl]pyrazin-2-yl]phenyl]methanol;hydrochloride
CID 68594481
1-(2-chloro-3-pyridinyl)-4-[1-(5-methyl-1H-pyrazol-4-yl)propyl]piperazine
CID 87069110
[1-[3-[4-[(5-methyl-1H-pyrazol-4-yl)-pyridin-2-ylmethyl]piperazin-1-yl]pyrazin-2-yl]piperidin-4-yl]methanol
CID 66602076
1-[2-methyl-1-(1H-pyrazol-4-yl)propyl]-4-[3-[4-(trifluoromethyl)phenyl]-2-pyridinyl]piperazine;hydrochloride
CID 68595464
1-(3-fluoro-2-pyridinyl)-4-phenylpiperazine
CID 171328537
5-chloro-4-[4-[(1S)-1-(2-methylphenyl)ethyl]piperazin-1-yl]-1H-pyridazin-6-one
CID 138484033
1-[(1S)-1-(2-fluoro-3-pyridinyl)ethyl]piperazine;dihydrochloride
CID 171276366
4-(3-fluoro-2-pyridinyl)-N-(1-pyridin-2-ylethyl)piperazine-1-carboxamide
CID 146123535
2-[4-[(5-ethyl-1H-pyrazol-4-yl)-phenylmethyl]piperazin-1-yl]-3-(4-fluorophenyl)pyrazine
CID 68594254

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-fluorophenyl)-2-pyridinyl]-4-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]piperazine;hydrochloride?
The IUPAC name of 1-[3-(2-fluorophenyl)-2-pyridinyl]-4-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]piperazine;hydrochloride (CID 68594182) is 1-[3-(2-fluorophenyl)-2-pyridinyl]-4-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[3-(2-fluorophenyl)-2-pyridinyl]-4-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]piperazine;hydrochloride?
The canonical SMILES for 1-[3-(2-fluorophenyl)-2-pyridinyl]-4-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]piperazine;hydrochloride is Cc1[nH]ncc1C(C)N1CCN(c2ncccc2-c2ccccc2F)CC1.Cl.
What is the InChIKey of 1-[3-(2-fluorophenyl)-2-pyridinyl]-4-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]piperazine;hydrochloride?
The InChIKey is NJBVLQXFRCMSHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5.ClH/c1-15-19(14-24-25-15)16(2)26-10-12-27(13-11-26)21-18(7-5-9-23-21)17-6-3-4-8-20(17)22;/h3-9,14,16H,10-13H2,1-2H3,(H,24,25);1H.
What are the key properties of 1-[3-(2-fluorophenyl)-2-pyridinyl]-4-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]piperazine;hydrochloride?
1-[3-(2-fluorophenyl)-2-pyridinyl]-4-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]piperazine;hydrochloride has a molecular weight of 401.92 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-fluorophenyl)-2-pyridinyl]-4-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]piperazine;hydrochloride is sourced from PubChem (CID 68594182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).