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

C26H27ClFN5O — CID 53027240

IUPAC1-[4-(3-chlorophenyl)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(c2cccc(Cl)c2)CC1
InChIInChI=1S/C26H27ClFN5O/c27-22-2-1-3-25(16-22)31-12-14-32(15-13-31)26(34)19-30-10-8-20(9-11-30)21-17-29-33(18-21)24-6-4-23(28)5-7-24/h1-8,16-18H,9-15,19H2
InChIKeyIXHLLKUTHXXIGM-UHFFFAOYSA-N
MW479.99 g/mol
LogP4.10
Rot. Bonds5

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

1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[4-[1-(4-fluorophenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone (PubChem CID 53027240) has the molecular formula C26H27ClFN5O and a molecular weight of 479.99 g/mol. Its IUPAC name is 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[4-[1-(4-fluorophenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[4-[1-(4-fluorophenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone
PubChem CID53027240
Molecular FormulaC26H27ClFN5O
Molecular Weight479.99 g/mol
Exact Mass479.19
IUPAC Name1-[4-(3-chlorophenyl)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(c2cccc(Cl)c2)CC1
InChIInChI=1S/C26H27ClFN5O/c27-22-2-1-3-25(16-22)31-12-14-32(15-13-31)26(34)19-30-10-8-20(9-11-30)21-17-29-33(18-21)24-6-4-23(28)5-7-24/h1-8,16-18H,9-15,19H2
InChIKeyIXHLLKUTHXXIGM-UHFFFAOYSA-N
XLogP4.10
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.99
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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-(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
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
2-[4-(3-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-[8-(5-fluoropyrimidin-2-yl)-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone
CID 90947663
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 17193886
N-(3-methylbutyl)-2-[4-(1-phenylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide
CID 20932230
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylamino]ethanone
CID 167980539
N-(2-ethylphenyl)-2-[4-[1-(4-methylphenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]acetamide
CID 53027049
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-(4-fluorophenyl)acetamide
CID 112994503

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-chlorophenyl)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-(3-chlorophenyl)piperazin-1-yl]-2-[4-[1-(4-fluorophenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone (CID 53027240) is 1-[4-(3-chlorophenyl)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-(3-chlorophenyl)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-(3-chlorophenyl)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(c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[4-[1-(4-fluorophenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The InChIKey is IXHLLKUTHXXIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClFN5O/c27-22-2-1-3-25(16-22)31-12-14-32(15-13-31)26(34)19-30-10-8-20(9-11-30)21-17-29-33(18-21)24-6-4-23(28)5-7-24/h1-8,16-18H,9-15,19H2.
What are the key properties of 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[4-[1-(4-fluorophenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone?
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[4-[1-(4-fluorophenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone has a molecular weight of 479.99 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[4-[1-(4-fluorophenyl)pyrazol-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone is sourced from PubChem (CID 53027240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).