[6-(cyclohexylamino)pyridazin-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone

C21H26FN5O — CID 109112866

IUPAC[6-(cyclohexylamino)pyridazin-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(NC2CCCCC2)nn1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C21H26FN5O/c22-17-8-4-5-9-19(17)26-12-14-27(15-13-26)21(28)18-10-11-20(25-24-18)23-16-6-2-1-3-7-16/h4-5,8-11,16H,1-3,6-7,12-15H2,(H,23,25)
InChIKeyAITGESVWBXLRLO-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.32
Rot. Bonds4

About [6-(cyclohexylamino)pyridazin-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone

[6-(cyclohexylamino)pyridazin-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 109112866) has the molecular formula C21H26FN5O and a molecular weight of 383.47 g/mol. Its IUPAC name is [6-(cyclohexylamino)pyridazin-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[6-(cyclohexylamino)pyridazin-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
PubChem CID109112866
Molecular FormulaC21H26FN5O
Molecular Weight383.47 g/mol
Exact Mass383.21
IUPAC Name[6-(cyclohexylamino)pyridazin-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(NC2CCCCC2)nn1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C21H26FN5O/c22-17-8-4-5-9-19(17)26-12-14-27(15-13-26)21(28)18-10-11-20(25-24-18)23-16-6-2-1-3-7-16/h4-5,8-11,16H,1-3,6-7,12-15H2,(H,23,25)
InChIKeyAITGESVWBXLRLO-UHFFFAOYSA-N
XLogP3.32
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [6-(cyclohexylamino)pyridazin-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

[5-(cyclohexylamino)pyrazin-2-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 109274875
[6-(cycloheptylamino)-3-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 109160477
[5-(cyclohexylamino)-2-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 109183120
[2-(cyclopentylamino)-4-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 109166108
[6-(cyclohexylamino)pyridazin-3-yl]-morpholin-4-ylmethanone
CID 109112814
[6-(cycloheptylamino)pyridazin-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 109121834
[2-(cyclopropylamino)-3-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 84574137
[6-(cyclopentylamino)pyridazin-3-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 109112159
[6-(cyclohexylamino)pyridazin-3-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109112959
[4-(2-fluorophenyl)piperazin-1-yl]-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]methanone
CID 109124044
6-(cyclooctylamino)pyridazine-3-carboxylic acid
CID 60792420
[6-[4-(2-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]-morpholin-4-ylmethanone
CID 109114667

Frequently Asked Questions

What is the IUPAC name of [6-(cyclohexylamino)pyridazin-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of [6-(cyclohexylamino)pyridazin-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone (CID 109112866) is [6-(cyclohexylamino)pyridazin-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [6-(cyclohexylamino)pyridazin-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for [6-(cyclohexylamino)pyridazin-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone is O=C(c1ccc(NC2CCCCC2)nn1)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of [6-(cyclohexylamino)pyridazin-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is AITGESVWBXLRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN5O/c22-17-8-4-5-9-19(17)26-12-14-27(15-13-26)21(28)18-10-11-20(25-24-18)23-16-6-2-1-3-7-16/h4-5,8-11,16H,1-3,6-7,12-15H2,(H,23,25).
What are the key properties of [6-(cyclohexylamino)pyridazin-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
[6-(cyclohexylamino)pyridazin-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 383.47 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(cyclohexylamino)pyridazin-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 109112866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).