1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-[3-(5-fluoro-2-methoxyphenyl)-2-pyridinyl]piperazine

C22H26FN5O — CID 59322053

IUPAC1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-[3-(5-fluoro-2-methoxyphenyl)-2-pyridinyl]piperazine
SMILESCOc1ccc(F)cc1-c1cccnc1N1CCN(Cc2cn(C)nc2C)CC1
InChIInChI=1S/C22H26FN5O/c1-16-17(14-26(2)25-16)15-27-9-11-28(12-10-27)22-19(5-4-8-24-22)20-13-18(23)6-7-21(20)29-3/h4-8,13-14H,9-12,15H2,1-3H3
InChIKeyFMFRUCVDSKDVME-UHFFFAOYSA-N
MW395.48 g/mol
LogP3.26
Rot. Bonds5

About 1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-[3-(5-fluoro-2-methoxyphenyl)-2-pyridinyl]piperazine

1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-[3-(5-fluoro-2-methoxyphenyl)-2-pyridinyl]piperazine (PubChem CID 59322053) has the molecular formula C22H26FN5O and a molecular weight of 395.48 g/mol. Its IUPAC name is 1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-[3-(5-fluoro-2-methoxyphenyl)-2-pyridinyl]piperazine.

Molecular Properties

Compound Name1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-[3-(5-fluoro-2-methoxyphenyl)-2-pyridinyl]piperazine
PubChem CID59322053
Molecular FormulaC22H26FN5O
Molecular Weight395.48 g/mol
Exact Mass395.21
IUPAC Name1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-[3-(5-fluoro-2-methoxyphenyl)-2-pyridinyl]piperazine
SMILESCOc1ccc(F)cc1-c1cccnc1N1CCN(Cc2cn(C)nc2C)CC1
InChIInChI=1S/C22H26FN5O/c1-16-17(14-26(2)25-16)15-27-9-11-28(12-10-27)22-19(5-4-8-24-22)20-13-18(23)6-7-21(20)29-3/h4-8,13-14H,9-12,15H2,1-3H3
InChIKeyFMFRUCVDSKDVME-UHFFFAOYSA-N
XLogP3.26
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-[3-(5-fluoro-2-methoxyphenyl)-2-pyridinyl]piperazine?
The IUPAC name of 1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-[3-(5-fluoro-2-methoxyphenyl)-2-pyridinyl]piperazine (CID 59322053) is 1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-[3-(5-fluoro-2-methoxyphenyl)-2-pyridinyl]piperazine.
What is the SMILES notation for 1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-[3-(5-fluoro-2-methoxyphenyl)-2-pyridinyl]piperazine?
The canonical SMILES for 1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-[3-(5-fluoro-2-methoxyphenyl)-2-pyridinyl]piperazine is COc1ccc(F)cc1-c1cccnc1N1CCN(Cc2cn(C)nc2C)CC1.
What is the InChIKey of 1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-[3-(5-fluoro-2-methoxyphenyl)-2-pyridinyl]piperazine?
The InChIKey is FMFRUCVDSKDVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN5O/c1-16-17(14-26(2)25-16)15-27-9-11-28(12-10-27)22-19(5-4-8-24-22)20-13-18(23)6-7-21(20)29-3/h4-8,13-14H,9-12,15H2,1-3H3.
What are the key properties of 1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-[3-(5-fluoro-2-methoxyphenyl)-2-pyridinyl]piperazine?
1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-[3-(5-fluoro-2-methoxyphenyl)-2-pyridinyl]piperazine has a molecular weight of 395.48 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,3-dimethylpyrazol-4-yl)methyl]-4-[3-(5-fluoro-2-methoxyphenyl)-2-pyridinyl]piperazine is sourced from PubChem (CID 59322053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).