4-[5-[(4,5-dimethylpyridazin-3-yl)methyl]-2-fluorobenzoyl]-1-propan-2-ylpiperazin-2-one

C21H25FN4O2 — CID 68735669

IUPAC4-[5-[(4,5-dimethylpyridazin-3-yl)methyl]-2-fluorobenzoyl]-1-propan-2-ylpiperazin-2-one
SMILESCc1cnnc(Cc2ccc(F)c(C(=O)N3CCN(C(C)C)C(=O)C3)c2)c1C
InChIInChI=1S/C21H25FN4O2/c1-13(2)26-8-7-25(12-20(26)27)21(28)17-9-16(5-6-18(17)22)10-19-15(4)14(3)11-23-24-19/h5-6,9,11,13H,7-8,10,12H2,1-4H3
InChIKeyHWKSVHJPRIBSBC-UHFFFAOYSA-N
MW384.46 g/mol
LogP2.52
Rot. Bonds4

About 4-[5-[(4,5-dimethylpyridazin-3-yl)methyl]-2-fluorobenzoyl]-1-propan-2-ylpiperazin-2-one

4-[5-[(4,5-dimethylpyridazin-3-yl)methyl]-2-fluorobenzoyl]-1-propan-2-ylpiperazin-2-one (PubChem CID 68735669) has the molecular formula C21H25FN4O2 and a molecular weight of 384.46 g/mol. Its IUPAC name is 4-[5-[(4,5-dimethylpyridazin-3-yl)methyl]-2-fluorobenzoyl]-1-propan-2-ylpiperazin-2-one.

Molecular Properties

Compound Name4-[5-[(4,5-dimethylpyridazin-3-yl)methyl]-2-fluorobenzoyl]-1-propan-2-ylpiperazin-2-one
PubChem CID68735669
Molecular FormulaC21H25FN4O2
Molecular Weight384.46 g/mol
Exact Mass384.20
IUPAC Name4-[5-[(4,5-dimethylpyridazin-3-yl)methyl]-2-fluorobenzoyl]-1-propan-2-ylpiperazin-2-one
SMILESCc1cnnc(Cc2ccc(F)c(C(=O)N3CCN(C(C)C)C(=O)C3)c2)c1C
InChIInChI=1S/C21H25FN4O2/c1-13(2)26-8-7-25(12-20(26)27)21(28)17-9-16(5-6-18(17)22)10-19-15(4)14(3)11-23-24-19/h5-6,9,11,13H,7-8,10,12H2,1-4H3
InChIKeyHWKSVHJPRIBSBC-UHFFFAOYSA-N
XLogP2.52
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[5-[(4,5-dimethylpyridazin-3-yl)methyl]-2-fluorobenzoyl]-1-propan-2-ylpiperazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(4,5-dimethylpyridazin-3-yl)methyl]-2-fluorobenzoyl]-1-propan-2-ylpiperazin-2-one?
The IUPAC name of 4-[5-[(4,5-dimethylpyridazin-3-yl)methyl]-2-fluorobenzoyl]-1-propan-2-ylpiperazin-2-one (CID 68735669) is 4-[5-[(4,5-dimethylpyridazin-3-yl)methyl]-2-fluorobenzoyl]-1-propan-2-ylpiperazin-2-one.
What is the SMILES notation for 4-[5-[(4,5-dimethylpyridazin-3-yl)methyl]-2-fluorobenzoyl]-1-propan-2-ylpiperazin-2-one?
The canonical SMILES for 4-[5-[(4,5-dimethylpyridazin-3-yl)methyl]-2-fluorobenzoyl]-1-propan-2-ylpiperazin-2-one is Cc1cnnc(Cc2ccc(F)c(C(=O)N3CCN(C(C)C)C(=O)C3)c2)c1C.
What is the InChIKey of 4-[5-[(4,5-dimethylpyridazin-3-yl)methyl]-2-fluorobenzoyl]-1-propan-2-ylpiperazin-2-one?
The InChIKey is HWKSVHJPRIBSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O2/c1-13(2)26-8-7-25(12-20(26)27)21(28)17-9-16(5-6-18(17)22)10-19-15(4)14(3)11-23-24-19/h5-6,9,11,13H,7-8,10,12H2,1-4H3.
What are the key properties of 4-[5-[(4,5-dimethylpyridazin-3-yl)methyl]-2-fluorobenzoyl]-1-propan-2-ylpiperazin-2-one?
4-[5-[(4,5-dimethylpyridazin-3-yl)methyl]-2-fluorobenzoyl]-1-propan-2-ylpiperazin-2-one has a molecular weight of 384.46 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(4,5-dimethylpyridazin-3-yl)methyl]-2-fluorobenzoyl]-1-propan-2-ylpiperazin-2-one is sourced from PubChem (CID 68735669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).