[4-(6-cyclohexyloxypyridazin-3-yl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone

C22H25F3N4O2 — CID 30773742

IUPAC[4-(6-cyclohexyloxypyridazin-3-yl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)N1CCN(c2ccc(OC3CCCCC3)nn2)CC1
InChIInChI=1S/C22H25F3N4O2/c23-22(24,25)17-8-6-16(7-9-17)21(30)29-14-12-28(13-15-29)19-10-11-20(27-26-19)31-18-4-2-1-3-5-18/h6-11,18H,1-5,12-15H2
InChIKeyYSSXXCQUCRUNGQ-UHFFFAOYSA-N
MW434.46 g/mol
LogP4.17
Rot. Bonds4

About [4-(6-cyclohexyloxypyridazin-3-yl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone

[4-(6-cyclohexyloxypyridazin-3-yl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 30773742) has the molecular formula C22H25F3N4O2 and a molecular weight of 434.46 g/mol. Its IUPAC name is [4-(6-cyclohexyloxypyridazin-3-yl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[4-(6-cyclohexyloxypyridazin-3-yl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
PubChem CID30773742
Molecular FormulaC22H25F3N4O2
Molecular Weight434.46 g/mol
Exact Mass434.19
IUPAC Name[4-(6-cyclohexyloxypyridazin-3-yl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)N1CCN(c2ccc(OC3CCCCC3)nn2)CC1
InChIInChI=1S/C22H25F3N4O2/c23-22(24,25)17-8-6-16(7-9-17)21(30)29-14-12-28(13-15-29)19-10-11-20(27-26-19)31-18-4-2-1-3-5-18/h6-11,18H,1-5,12-15H2
InChIKeyYSSXXCQUCRUNGQ-UHFFFAOYSA-N
XLogP4.17
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.46
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(6-cyclohexyloxypyridazin-3-yl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 30773694
(6-cyclopentyloxy-3-pyridinyl)-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122336194
(6-cyclopentyloxy-3-pyridinyl)-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122341679
6-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carbonitrile
CID 133418334
[4-(6-cyclohexyloxypyridazin-3-yl)piperazin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 30773707
[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 90638686
[4-(trifluoromethyl)phenyl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 27809741
(4-cycloheptylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 113074934
cyclohexyl 1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxylate
CID 55486099
2-cyclohexyl-1-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone
CID 55586569
[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 121058164
[4-(6-cyclobutyloxypyrimidin-4-yl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 66747951

Frequently Asked Questions

What is the IUPAC name of [4-(6-cyclohexyloxypyridazin-3-yl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [4-(6-cyclohexyloxypyridazin-3-yl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone (CID 30773742) is [4-(6-cyclohexyloxypyridazin-3-yl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [4-(6-cyclohexyloxypyridazin-3-yl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [4-(6-cyclohexyloxypyridazin-3-yl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone is O=C(c1ccc(C(F)(F)F)cc1)N1CCN(c2ccc(OC3CCCCC3)nn2)CC1.
What is the InChIKey of [4-(6-cyclohexyloxypyridazin-3-yl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
The InChIKey is YSSXXCQUCRUNGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N4O2/c23-22(24,25)17-8-6-16(7-9-17)21(30)29-14-12-28(13-15-29)19-10-11-20(27-26-19)31-18-4-2-1-3-5-18/h6-11,18H,1-5,12-15H2.
What are the key properties of [4-(6-cyclohexyloxypyridazin-3-yl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
[4-(6-cyclohexyloxypyridazin-3-yl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone has a molecular weight of 434.46 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-cyclohexyloxypyridazin-3-yl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 30773742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).