1-(5-fluoro-2-pyridinyl)-4-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-methylpiperazine

C21H24FN5O — CID 146044844

IUPAC1-(5-fluoro-2-pyridinyl)-4-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-methylpiperazine
SMILESCOc1ccc(-c2[nH]ncc2CN2CCN(c3ccc(F)cn3)C(C)C2)cc1
InChIInChI=1S/C21H24FN5O/c1-15-13-26(9-10-27(15)20-8-5-18(22)12-23-20)14-17-11-24-25-21(17)16-3-6-19(28-2)7-4-16/h3-8,11-12,15H,9-10,13-14H2,1-2H3,(H,24,25)
InChIKeySBFNHTTUQRSPPJ-UHFFFAOYSA-N
MW381.46 g/mol
LogP3.33
Rot. Bonds5

About 1-(5-fluoro-2-pyridinyl)-4-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-methylpiperazine

1-(5-fluoro-2-pyridinyl)-4-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-methylpiperazine (PubChem CID 146044844) has the molecular formula C21H24FN5O and a molecular weight of 381.46 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-4-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-methylpiperazine.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-4-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-methylpiperazine
PubChem CID146044844
Molecular FormulaC21H24FN5O
Molecular Weight381.46 g/mol
Exact Mass381.20
IUPAC Name1-(5-fluoro-2-pyridinyl)-4-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-methylpiperazine
SMILESCOc1ccc(-c2[nH]ncc2CN2CCN(c3ccc(F)cn3)C(C)C2)cc1
InChIInChI=1S/C21H24FN5O/c1-15-13-26(9-10-27(15)20-8-5-18(22)12-23-20)14-17-11-24-25-21(17)16-3-6-19(28-2)7-4-16/h3-8,11-12,15H,9-10,13-14H2,1-2H3,(H,24,25)
InChIKeySBFNHTTUQRSPPJ-UHFFFAOYSA-N
XLogP3.33
TPSA57.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-4-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-methylpiperazine?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-4-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-methylpiperazine (CID 146044844) is 1-(5-fluoro-2-pyridinyl)-4-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-methylpiperazine.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-4-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-methylpiperazine?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-4-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-methylpiperazine is COc1ccc(-c2[nH]ncc2CN2CCN(c3ccc(F)cn3)C(C)C2)cc1.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-4-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-methylpiperazine?
The InChIKey is SBFNHTTUQRSPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5O/c1-15-13-26(9-10-27(15)20-8-5-18(22)12-23-20)14-17-11-24-25-21(17)16-3-6-19(28-2)7-4-16/h3-8,11-12,15H,9-10,13-14H2,1-2H3,(H,24,25).
What are the key properties of 1-(5-fluoro-2-pyridinyl)-4-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-methylpiperazine?
1-(5-fluoro-2-pyridinyl)-4-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-methylpiperazine has a molecular weight of 381.46 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pyridinyl)-4-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-methylpiperazine is sourced from PubChem (CID 146044844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).