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

C22H22FN7O2 — CID 122338989

IUPAC1-(4-fluorophenyl)-4-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESO=C(C1CC(=O)N(c2ccc(F)cc2)C1)N1CCN(c2ccc(-n3cccn3)nn2)CC1
InChIInChI=1S/C22H22FN7O2/c23-17-2-4-18(5-3-17)29-15-16(14-21(29)31)22(32)28-12-10-27(11-13-28)19-6-7-20(26-25-19)30-9-1-8-24-30/h1-9,16H,10-15H2
InChIKeyDQFHWFQHLNHFKA-UHFFFAOYSA-N
MW435.46 g/mol
LogP1.50
Rot. Bonds4

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

1-(4-fluorophenyl)-4-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one (PubChem CID 122338989) has the molecular formula C22H22FN7O2 and a molecular weight of 435.46 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one
PubChem CID122338989
Molecular FormulaC22H22FN7O2
Molecular Weight435.46 g/mol
Exact Mass435.18
IUPAC Name1-(4-fluorophenyl)-4-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESO=C(C1CC(=O)N(c2ccc(F)cc2)C1)N1CCN(c2ccc(-n3cccn3)nn2)CC1
InChIInChI=1S/C22H22FN7O2/c23-17-2-4-18(5-3-17)29-15-16(14-21(29)31)22(32)28-12-10-27(11-13-28)19-6-7-20(26-25-19)30-9-1-8-24-30/h1-9,16H,10-15H2
InChIKeyDQFHWFQHLNHFKA-UHFFFAOYSA-N
XLogP1.50
TPSA87.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.46
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-fluorophenyl)-4-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 122347635
1-(4-fluorophenyl)-4-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 121060056
1-(4-fluorophenyl)-4-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 122347120
1-(4-methylphenyl)-4-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 122334353
1-(4-chlorophenyl)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 17082146
4-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 17118563
1-(4-chlorophenyl)-4-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 122336093
4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1-(4-fluorophenyl)pyrrolidin-2-one
CID 17310631
(4S)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 40822839
1-(4-chlorophenyl)-4-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 122347893
1-(4-chlorophenyl)-4-[4-[6-(dimethylamino)pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 122334066
1-(3-methoxyphenyl)-4-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 121146028

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-(4-fluorophenyl)-4-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one (CID 122338989) is 1-(4-fluorophenyl)-4-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-(4-fluorophenyl)-4-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-(4-fluorophenyl)-4-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one is O=C(C1CC(=O)N(c2ccc(F)cc2)C1)N1CCN(c2ccc(-n3cccn3)nn2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-4-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is DQFHWFQHLNHFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN7O2/c23-17-2-4-18(5-3-17)29-15-16(14-21(29)31)22(32)28-12-10-27(11-13-28)19-6-7-20(26-25-19)30-9-1-8-24-30/h1-9,16H,10-15H2.
What are the key properties of 1-(4-fluorophenyl)-4-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one?
1-(4-fluorophenyl)-4-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 435.46 g/mol, XLogP of 1.50, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 122338989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).