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

C21H26FN5O — CID 109124044

IUPAC[4-(2-fluorophenyl)piperazin-1-yl]-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]methanone
SMILESCC1CCCN(c2ccc(C(=O)N3CCN(c4ccccc4F)CC3)nn2)C1
InChIInChI=1S/C21H26FN5O/c1-16-5-4-10-27(15-16)20-9-8-18(23-24-20)21(28)26-13-11-25(12-14-26)19-7-3-2-6-17(19)22/h2-3,6-9,16H,4-5,10-15H2,1H3
InChIKeyCSPYRGOUYJKNHL-UHFFFAOYSA-N
MW383.47 g/mol
LogP2.81
Rot. Bonds3

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

[4-(2-fluorophenyl)piperazin-1-yl]-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]methanone (PubChem CID 109124044) has the molecular formula C21H26FN5O and a molecular weight of 383.47 g/mol. Its IUPAC name is [4-(2-fluorophenyl)piperazin-1-yl]-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]methanone.

Molecular Properties

Compound Name[4-(2-fluorophenyl)piperazin-1-yl]-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]methanone
PubChem CID109124044
Molecular FormulaC21H26FN5O
Molecular Weight383.47 g/mol
Exact Mass383.21
IUPAC Name[4-(2-fluorophenyl)piperazin-1-yl]-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]methanone
SMILESCC1CCCN(c2ccc(C(=O)N3CCN(c4ccccc4F)CC3)nn2)C1
InChIInChI=1S/C21H26FN5O/c1-16-5-4-10-27(15-16)20-9-8-18(23-24-20)21(28)26-13-11-25(12-14-26)19-7-3-2-6-17(19)22/h2-3,6-9,16H,4-5,10-15H2,1H3
InChIKeyCSPYRGOUYJKNHL-UHFFFAOYSA-N
XLogP2.81
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[6-[4-(2-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]-morpholin-4-ylmethanone
CID 109114667
[4-(furan-2-carbonyl)piperazin-1-yl]-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]methanone
CID 109124094
[4-(2-fluorophenyl)piperazin-1-yl]-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]methanone
CID 121118403
[6-(cyclohexylamino)pyridazin-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 109112866
[2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone
CID 109262111
N,N-diethyl-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109124404
[4-(2-methoxyphenyl)piperazin-1-yl]-(6-piperidin-1-ylpyridazin-3-yl)methanone
CID 109112503
[4-(2-fluorophenyl)piperazin-1-yl]-[1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidin-3-yl]methanone
CID 90600961
[6-[4-(3-chlorophenyl)piperazin-1-yl]pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 109124005
[6-(2-fluoroanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 109126061
N-benzyl-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109117891
ethyl 6-[(3S)-3-methylpiperidin-1-yl]pyridazine-3-carboxylate
CID 129495548

Frequently Asked Questions

What is the IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]methanone?
The IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]methanone (CID 109124044) is [4-(2-fluorophenyl)piperazin-1-yl]-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]methanone.
What is the SMILES notation for [4-(2-fluorophenyl)piperazin-1-yl]-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]methanone?
The canonical SMILES for [4-(2-fluorophenyl)piperazin-1-yl]-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]methanone is CC1CCCN(c2ccc(C(=O)N3CCN(c4ccccc4F)CC3)nn2)C1.
What is the InChIKey of [4-(2-fluorophenyl)piperazin-1-yl]-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]methanone?
The InChIKey is CSPYRGOUYJKNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN5O/c1-16-5-4-10-27(15-16)20-9-8-18(23-24-20)21(28)26-13-11-25(12-14-26)19-7-3-2-6-17(19)22/h2-3,6-9,16H,4-5,10-15H2,1H3.
What are the key properties of [4-(2-fluorophenyl)piperazin-1-yl]-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]methanone?
[4-(2-fluorophenyl)piperazin-1-yl]-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]methanone has a molecular weight of 383.47 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluorophenyl)piperazin-1-yl]-[6-(3-methylpiperidin-1-yl)pyridazin-3-yl]methanone is sourced from PubChem (CID 109124044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).