[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]-pyrrolidin-1-ylmethanone

C19H22FN5O — CID 109111932

IUPAC[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc(N2CCN(c3ccc(F)cc3)CC2)nn1)N1CCCC1
InChIInChI=1S/C19H22FN5O/c20-15-3-5-16(6-4-15)23-11-13-24(14-12-23)18-8-7-17(21-22-18)19(26)25-9-1-2-10-25/h3-8H,1-2,9-14H2
InChIKeyARPPMBVXWJWSCO-UHFFFAOYSA-N
MW355.42 g/mol
LogP2.18
Rot. Bonds3

About [6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]-pyrrolidin-1-ylmethanone

[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 109111932) has the molecular formula C19H22FN5O and a molecular weight of 355.42 g/mol. Its IUPAC name is [6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID109111932
Molecular FormulaC19H22FN5O
Molecular Weight355.42 g/mol
Exact Mass355.18
IUPAC Name[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc(N2CCN(c3ccc(F)cc3)CC2)nn1)N1CCCC1
InChIInChI=1S/C19H22FN5O/c20-15-3-5-16(6-4-15)23-11-13-24(14-12-23)18-8-7-17(21-22-18)19(26)25-9-1-2-10-25/h3-8H,1-2,9-14H2
InChIKeyARPPMBVXWJWSCO-UHFFFAOYSA-N
XLogP2.18
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[6-[4-(4-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109111969
1-[4-[4-(6-pyrrolidin-1-ylpyridazine-3-carbonyl)piperazin-1-yl]phenyl]ethanone
CID 121027795
[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109111898
1-[4-[6-(pyrrolidine-1-carbonyl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 109111901
azepan-1-yl-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]methanone
CID 109352160
azepan-1-yl-[6-[4-(3-chlorophenyl)piperazin-1-yl]pyridazin-3-yl]methanone
CID 109124006
[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109111899
[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]-piperidin-1-ylmethanone
CID 109112677
[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]-piperidin-1-ylmethanone
CID 109112634
[4-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridinyl]-piperidin-1-ylmethanone
CID 109204404
1-[4-(6-pyrrolidin-1-ylpyridazine-3-carbonyl)piperazin-1-yl]ethanone
CID 109111741
[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 121027881

Frequently Asked Questions

What is the IUPAC name of [6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]-pyrrolidin-1-ylmethanone (CID 109111932) is [6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]-pyrrolidin-1-ylmethanone is O=C(c1ccc(N2CCN(c3ccc(F)cc3)CC2)nn1)N1CCCC1.
What is the InChIKey of [6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is ARPPMBVXWJWSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5O/c20-15-3-5-16(6-4-15)23-11-13-24(14-12-23)18-8-7-17(21-22-18)19(26)25-9-1-2-10-25/h3-8H,1-2,9-14H2.
What are the key properties of [6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]-pyrrolidin-1-ylmethanone?
[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 355.42 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 109111932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).