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

C21H25FN6O2 — CID 122334065

IUPAC4-[4-[6-(dimethylamino)pyridazin-3-yl]piperazine-1-carbonyl]-1-(4-fluorophenyl)pyrrolidin-2-one
SMILESCN(C)c1ccc(N2CCN(C(=O)C3CC(=O)N(c4ccc(F)cc4)C3)CC2)nn1
InChIInChI=1S/C21H25FN6O2/c1-25(2)18-7-8-19(24-23-18)26-9-11-27(12-10-26)21(30)15-13-20(29)28(14-15)17-5-3-16(22)4-6-17/h3-8,15H,9-14H2,1-2H3
InChIKeyAWSPLDBITMYSLX-UHFFFAOYSA-N
MW412.47 g/mol
LogP1.38
Rot. Bonds4

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

4-[4-[6-(dimethylamino)pyridazin-3-yl]piperazine-1-carbonyl]-1-(4-fluorophenyl)pyrrolidin-2-one (PubChem CID 122334065) has the molecular formula C21H25FN6O2 and a molecular weight of 412.47 g/mol. Its IUPAC name is 4-[4-[6-(dimethylamino)pyridazin-3-yl]piperazine-1-carbonyl]-1-(4-fluorophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-[4-[6-(dimethylamino)pyridazin-3-yl]piperazine-1-carbonyl]-1-(4-fluorophenyl)pyrrolidin-2-one
PubChem CID122334065
Molecular FormulaC21H25FN6O2
Molecular Weight412.47 g/mol
Exact Mass412.20
IUPAC Name4-[4-[6-(dimethylamino)pyridazin-3-yl]piperazine-1-carbonyl]-1-(4-fluorophenyl)pyrrolidin-2-one
SMILESCN(C)c1ccc(N2CCN(C(=O)C3CC(=O)N(c4ccc(F)cc4)C3)CC2)nn1
InChIInChI=1S/C21H25FN6O2/c1-25(2)18-7-8-19(24-23-18)26-9-11-27(12-10-26)21(30)15-13-20(29)28(14-15)17-5-3-16(22)4-6-17/h3-8,15H,9-14H2,1-2H3
InChIKeyAWSPLDBITMYSLX-UHFFFAOYSA-N
XLogP1.38
TPSA72.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[6-(dimethylamino)pyridazin-3-yl]piperazine-1-carbonyl]-1-(4-fluorophenyl)pyrrolidin-2-one?
The IUPAC name of 4-[4-[6-(dimethylamino)pyridazin-3-yl]piperazine-1-carbonyl]-1-(4-fluorophenyl)pyrrolidin-2-one (CID 122334065) is 4-[4-[6-(dimethylamino)pyridazin-3-yl]piperazine-1-carbonyl]-1-(4-fluorophenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-[4-[6-(dimethylamino)pyridazin-3-yl]piperazine-1-carbonyl]-1-(4-fluorophenyl)pyrrolidin-2-one?
The canonical SMILES for 4-[4-[6-(dimethylamino)pyridazin-3-yl]piperazine-1-carbonyl]-1-(4-fluorophenyl)pyrrolidin-2-one is CN(C)c1ccc(N2CCN(C(=O)C3CC(=O)N(c4ccc(F)cc4)C3)CC2)nn1.
What is the InChIKey of 4-[4-[6-(dimethylamino)pyridazin-3-yl]piperazine-1-carbonyl]-1-(4-fluorophenyl)pyrrolidin-2-one?
The InChIKey is AWSPLDBITMYSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN6O2/c1-25(2)18-7-8-19(24-23-18)26-9-11-27(12-10-26)21(30)15-13-20(29)28(14-15)17-5-3-16(22)4-6-17/h3-8,15H,9-14H2,1-2H3.
What are the key properties of 4-[4-[6-(dimethylamino)pyridazin-3-yl]piperazine-1-carbonyl]-1-(4-fluorophenyl)pyrrolidin-2-one?
4-[4-[6-(dimethylamino)pyridazin-3-yl]piperazine-1-carbonyl]-1-(4-fluorophenyl)pyrrolidin-2-one has a molecular weight of 412.47 g/mol, XLogP of 1.38, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[6-(dimethylamino)pyridazin-3-yl]piperazine-1-carbonyl]-1-(4-fluorophenyl)pyrrolidin-2-one is sourced from PubChem (CID 122334065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).