1-(4-fluorophenyl)-4-(4-pyridazin-3-ylpiperazin-1-yl)cyclohexane-1-carbonitrile

C21H24FN5 — CID 19095551

IUPAC1-(4-fluorophenyl)-4-(4-pyridazin-3-ylpiperazin-1-yl)cyclohexane-1-carbonitrile
SMILESN#CC1(c2ccc(F)cc2)CCC(N2CCN(c3cccnn3)CC2)CC1
InChIInChI=1S/C21H24FN5/c22-18-5-3-17(4-6-18)21(16-23)9-7-19(8-10-21)26-12-14-27(15-13-26)20-2-1-11-24-25-20/h1-6,11,19H,7-10,12-15H2
InChIKeyDWQDRSNZYIIONX-UHFFFAOYSA-N
MW365.46 g/mol
LogP3.14
Rot. Bonds3

About 1-(4-fluorophenyl)-4-(4-pyridazin-3-ylpiperazin-1-yl)cyclohexane-1-carbonitrile

1-(4-fluorophenyl)-4-(4-pyridazin-3-ylpiperazin-1-yl)cyclohexane-1-carbonitrile (PubChem CID 19095551) has the molecular formula C21H24FN5 and a molecular weight of 365.46 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-(4-pyridazin-3-ylpiperazin-1-yl)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-(4-pyridazin-3-ylpiperazin-1-yl)cyclohexane-1-carbonitrile
PubChem CID19095551
Molecular FormulaC21H24FN5
Molecular Weight365.46 g/mol
Exact Mass365.20
IUPAC Name1-(4-fluorophenyl)-4-(4-pyridazin-3-ylpiperazin-1-yl)cyclohexane-1-carbonitrile
SMILESN#CC1(c2ccc(F)cc2)CCC(N2CCN(c3cccnn3)CC2)CC1
InChIInChI=1S/C21H24FN5/c22-18-5-3-17(4-6-18)21(16-23)9-7-19(8-10-21)26-12-14-27(15-13-26)20-2-1-11-24-25-20/h1-6,11,19H,7-10,12-15H2
InChIKeyDWQDRSNZYIIONX-UHFFFAOYSA-N
XLogP3.14
TPSA56.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-fluorophenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone
CID 121060430
4-phenyl-1-piperidin-4-ylpiperidine-4-carbonitrile
CID 22993489
4-[4-cyano-4-(3-fluorophenyl)cyclohexyl]-1,4-diazepane-1-carboxylic acid
CID 166720996
1-cyclopropyl-4-(6-fluoro-2-pyridinyl)piperazine
CID 61444197
4-[4-[3-(4-fluorophenoxy)-2-hydroxypropyl]piperazin-1-yl]-1-thiophen-2-ylcyclohexane-1-carbonitrile
CID 18953602
3-[4-(chloromethyl)piperidin-1-yl]pyridazine
CID 63390374
1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-4-phenylpiperidine-4-carbonitrile
CID 72893361
1-(3-methoxyphenyl)-4-piperazin-1-ylcyclohexane-1-carbonitrile
CID 23133699
(2S)-1-[2-[(4-methyl-1-pyridazin-3-ylpiperidin-4-yl)amino]acetyl]pyrrolidine-2-carbonitrile;dihydrochloride
CID 139987544
1-(1,4-dioxaspiro[4.5]decan-8-yl)-4-pyridin-2-ylpiperazine
CID 10979611
1-(3-methoxyphenyl)-4-piperidin-1-ylcyclohexane-1-carbonitrile
CID 23133805
1-(2-methoxyphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)cyclohexan-1-ol
CID 22165594

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-(4-pyridazin-3-ylpiperazin-1-yl)cyclohexane-1-carbonitrile?
The IUPAC name of 1-(4-fluorophenyl)-4-(4-pyridazin-3-ylpiperazin-1-yl)cyclohexane-1-carbonitrile (CID 19095551) is 1-(4-fluorophenyl)-4-(4-pyridazin-3-ylpiperazin-1-yl)cyclohexane-1-carbonitrile.
What is the SMILES notation for 1-(4-fluorophenyl)-4-(4-pyridazin-3-ylpiperazin-1-yl)cyclohexane-1-carbonitrile?
The canonical SMILES for 1-(4-fluorophenyl)-4-(4-pyridazin-3-ylpiperazin-1-yl)cyclohexane-1-carbonitrile is N#CC1(c2ccc(F)cc2)CCC(N2CCN(c3cccnn3)CC2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-4-(4-pyridazin-3-ylpiperazin-1-yl)cyclohexane-1-carbonitrile?
The InChIKey is DWQDRSNZYIIONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5/c22-18-5-3-17(4-6-18)21(16-23)9-7-19(8-10-21)26-12-14-27(15-13-26)20-2-1-11-24-25-20/h1-6,11,19H,7-10,12-15H2.
What are the key properties of 1-(4-fluorophenyl)-4-(4-pyridazin-3-ylpiperazin-1-yl)cyclohexane-1-carbonitrile?
1-(4-fluorophenyl)-4-(4-pyridazin-3-ylpiperazin-1-yl)cyclohexane-1-carbonitrile has a molecular weight of 365.46 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-(4-pyridazin-3-ylpiperazin-1-yl)cyclohexane-1-carbonitrile is sourced from PubChem (CID 19095551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).