1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[4-(1-phenylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone

C26H28FN5O — CID 53027087

IUPAC1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[4-(1-phenylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESO=C(CN1CC=C(c2cnn(-c3ccccc3)c2)CC1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C26H28FN5O/c27-24-8-4-5-9-25(24)30-14-16-31(17-15-30)26(33)20-29-12-10-21(11-13-29)22-18-28-32(19-22)23-6-2-1-3-7-23/h1-10,18-19H,11-17,20H2
InChIKeyLRPGHJMSGGLMSJ-UHFFFAOYSA-N
MW445.54 g/mol
LogP3.45
Rot. Bonds5

About 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[4-(1-phenylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone

1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[4-(1-phenylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone (PubChem CID 53027087) has the molecular formula C26H28FN5O and a molecular weight of 445.54 g/mol. Its IUPAC name is 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[4-(1-phenylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[4-(1-phenylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
PubChem CID53027087
Molecular FormulaC26H28FN5O
Molecular Weight445.54 g/mol
Exact Mass445.23
IUPAC Name1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[4-(1-phenylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESO=C(CN1CC=C(c2cnn(-c3ccccc3)c2)CC1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C26H28FN5O/c27-24-8-4-5-9-25(24)30-14-16-31(17-15-30)26(33)20-29-12-10-21(11-13-29)22-18-28-32(19-22)23-6-2-1-3-7-23/h1-10,18-19H,11-17,20H2
InChIKeyLRPGHJMSGGLMSJ-UHFFFAOYSA-N
XLogP3.45
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.54
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[4-(1-phenylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 53027086
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[4-[1-(4-fluorophenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 53027244
2-[4-(1-phenylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 53005790
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[4-[1-(4-fluorophenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 53027240
N-[(2-fluorophenyl)methyl]-2-[4-[1-(4-fluorophenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]acetamide
CID 53027218
N-(3-methylbutyl)-2-[4-(1-phenylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide
CID 20932230
N-(oxolan-2-ylmethyl)-2-[4-(1-phenylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide
CID 50954906
2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 108995427
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone
CID 1439137
1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methylpyrimidin-2-one
CID 132971329
2-[4-[1-(4-methylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 93056514
1-(4-methylsulfonylpiperazin-1-yl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 17430046

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[4-(1-phenylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The IUPAC name of 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[4-(1-phenylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone (CID 53027087) is 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[4-(1-phenylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[4-(1-phenylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The canonical SMILES for 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[4-(1-phenylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone is O=C(CN1CC=C(c2cnn(-c3ccccc3)c2)CC1)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[4-(1-phenylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The InChIKey is LRPGHJMSGGLMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN5O/c27-24-8-4-5-9-25(24)30-14-16-31(17-15-30)26(33)20-29-12-10-21(11-13-29)22-18-28-32(19-22)23-6-2-1-3-7-23/h1-10,18-19H,11-17,20H2.
What are the key properties of 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[4-(1-phenylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[4-(1-phenylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone has a molecular weight of 445.54 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[4-(1-phenylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone is sourced from PubChem (CID 53027087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).