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

C26H27F2N5O — CID 53027244

IUPAC1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[4-[1-(4-fluorophenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESO=C(CN1CC=C(c2cnn(-c3ccc(F)cc3)c2)CC1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C26H27F2N5O/c27-22-1-5-24(6-2-22)31-13-15-32(16-14-31)26(34)19-30-11-9-20(10-12-30)21-17-29-33(18-21)25-7-3-23(28)4-8-25/h1-9,17-18H,10-16,19H2
InChIKeyIWBXPWSORIKIEU-UHFFFAOYSA-N
MW463.53 g/mol
LogP3.59
Rot. Bonds5

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

1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[4-[1-(4-fluorophenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone (PubChem CID 53027244) has the molecular formula C26H27F2N5O and a molecular weight of 463.53 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[4-[1-(4-fluorophenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[4-[1-(4-fluorophenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone
PubChem CID53027244
Molecular FormulaC26H27F2N5O
Molecular Weight463.53 g/mol
Exact Mass463.22
IUPAC Name1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[4-[1-(4-fluorophenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESO=C(CN1CC=C(c2cnn(-c3ccc(F)cc3)c2)CC1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C26H27F2N5O/c27-22-1-5-24(6-2-22)31-13-15-32(16-14-31)26(34)19-30-11-9-20(10-12-30)21-17-29-33(18-21)25-7-3-23(28)4-8-25/h1-9,17-18H,10-16,19H2
InChIKeyIWBXPWSORIKIEU-UHFFFAOYSA-N
XLogP3.59
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.53
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[4-(1-phenylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 53027087
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-(2-methoxyphenyl)piperazin-1-yl]-2-[4-(1-phenylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 53027086
N-[(2-fluorophenyl)methyl]-2-[4-[1-(4-fluorophenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]acetamide
CID 53027218
2-[4-[1-(4-fluorophenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]acetamide
CID 95067165
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-morpholin-4-ylethanone
CID 110688043
N-(4-ethylphenyl)-2-[4-[1-(4-methylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]acetamide
CID 46320901
N-(2-ethylphenyl)-2-[4-[1-(4-methylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]acetamide
CID 53027049
N-[(4-chlorophenyl)methyl]-2-[4-[1-(4-methylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]acetamide
CID 53027057
N-(2-chloro-4-methylphenyl)-2-[4-[1-(4-methylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]acetamide
CID 53027038
1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrazole-4-carboxylic acid
CID 21070969

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[4-[1-(4-fluorophenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The IUPAC name of 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) is 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[4-[1-(4-fluorophenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[4-[1-(4-fluorophenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The canonical SMILES for 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[4-[1-(4-fluorophenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone is O=C(CN1CC=C(c2cnn(-c3ccc(F)cc3)c2)CC1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[4-[1-(4-fluorophenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The InChIKey is IWBXPWSORIKIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F2N5O/c27-22-1-5-24(6-2-22)31-13-15-32(16-14-31)26(34)19-30-11-9-20(10-12-30)21-17-29-33(18-21)25-7-3-23(28)4-8-25/h1-9,17-18H,10-16,19H2.
What are the key properties of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[4-[1-(4-fluorophenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone?
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[4-[1-(4-fluorophenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone has a molecular weight of 463.53 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[4-[1-(4-fluorophenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone is sourced from PubChem (CID 53027244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).