1-(4-fluorophenyl)-4-[4-(6-methylpyridazin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one

C20H22FN5O2 — CID 121060581

IUPAC1-(4-fluorophenyl)-4-[4-(6-methylpyridazin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESCc1ccc(N2CCN(C(=O)C3CC(=O)N(c4ccc(F)cc4)C3)CC2)nn1
InChIInChI=1S/C20H22FN5O2/c1-14-2-7-18(23-22-14)24-8-10-25(11-9-24)20(28)15-12-19(27)26(13-15)17-5-3-16(21)4-6-17/h2-7,15H,8-13H2,1H3
InChIKeyNCRFRTVJTXGROA-UHFFFAOYSA-N
MW383.43 g/mol
LogP1.63
Rot. Bonds3

About 1-(4-fluorophenyl)-4-[4-(6-methylpyridazin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one

1-(4-fluorophenyl)-4-[4-(6-methylpyridazin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one (PubChem CID 121060581) has the molecular formula C20H22FN5O2 and a molecular weight of 383.43 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-[4-(6-methylpyridazin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-[4-(6-methylpyridazin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one
PubChem CID121060581
Molecular FormulaC20H22FN5O2
Molecular Weight383.43 g/mol
Exact Mass383.18
IUPAC Name1-(4-fluorophenyl)-4-[4-(6-methylpyridazin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESCc1ccc(N2CCN(C(=O)C3CC(=O)N(c4ccc(F)cc4)C3)CC2)nn1
InChIInChI=1S/C20H22FN5O2/c1-14-2-7-18(23-22-14)24-8-10-25(11-9-24)20(28)15-12-19(27)26(13-15)17-5-3-16(21)4-6-17/h2-7,15H,8-13H2,1H3
InChIKeyNCRFRTVJTXGROA-UHFFFAOYSA-N
XLogP1.63
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

US10138230, Example F178
CID 122445983
4-[6-(4-{[4-(4-Fluorophenyl)piperazin-1-yl]carbonyl}piperidin-1-yl)pyridazin-3-yl]morpholine
CID 3243752
N-{1-[6-(2-fluorophenyl)pyridazin-3-yl]pyrrolidin-3-yl}cyclobutanecarboxamide
CID 71794387
1-(4-Acetamido-3-methyl-1-phenyl-1H-pyrazol-5-YL)-N-(2-fluorophenyl)piperidine-4-carboxamide
CID 16030675
(1-(6-(4-Fluorophenyl)pyridazin-3-yl)piperidin-4-yl)(indolin-1-yl)methanone
CID 30362483
(4-(2-Fluorophenyl)piperazin-1-yl)(1-(6-phenylpyridazin-3-yl)piperidin-4-yl)methanone
CID 30866607
(4-Benzylpiperazin-1-yl)(1-(6-(4-fluorophenyl)pyridazin-3-yl)piperidin-4-yl)methanone
CID 30866778
(1-(6-(4-Fluorophenyl)pyridazin-3-yl)piperidin-4-yl)(4-phenethylpiperazin-1-yl)methanone
CID 30866801
N-(3-acetamidophenyl)-1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30866830
1-{2-[1-(6-Methyl-3-pyridazinyl)-4-piperidinyl]ethyl}-2-pyrrolidinone
CID 39830966
Ethyl 4-(1-(6-(4-fluorophenyl)pyridazin-3-yl)piperidine-3-carbonyl)piperazine-1-carboxylate
CID 44059797
N-{3-[Methyl(phenyl)amino]propyl}-1-[6-(pyrrolidin-1-YL)pyridazin-3-YL]piperidine-4-carboxamide
CID 50771949

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-[4-(6-methylpyridazin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-(4-fluorophenyl)-4-[4-(6-methylpyridazin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one (CID 121060581) is 1-(4-fluorophenyl)-4-[4-(6-methylpyridazin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-(4-fluorophenyl)-4-[4-(6-methylpyridazin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-(4-fluorophenyl)-4-[4-(6-methylpyridazin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one is Cc1ccc(N2CCN(C(=O)C3CC(=O)N(c4ccc(F)cc4)C3)CC2)nn1.
What is the InChIKey of 1-(4-fluorophenyl)-4-[4-(6-methylpyridazin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is NCRFRTVJTXGROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5O2/c1-14-2-7-18(23-22-14)24-8-10-25(11-9-24)20(28)15-12-19(27)26(13-15)17-5-3-16(21)4-6-17/h2-7,15H,8-13H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-4-[4-(6-methylpyridazin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one?
1-(4-fluorophenyl)-4-[4-(6-methylpyridazin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 383.43 g/mol, XLogP of 1.63, 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-(6-methylpyridazin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 121060581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).