2-[1-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-1-oxopropan-2-yl]-6-(4-fluorophenyl)pyridazin-3-one

C24H25FN6O2 — CID 122279517

IUPAC2-[1-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-1-oxopropan-2-yl]-6-(4-fluorophenyl)pyridazin-3-one
SMILESCC(C(=O)N1CCN(c2ccc(C3CC3)nn2)CC1)n1nc(-c2ccc(F)cc2)ccc1=O
InChIInChI=1S/C24H25FN6O2/c1-16(31-23(32)11-9-21(28-31)18-4-6-19(25)7-5-18)24(33)30-14-12-29(13-15-30)22-10-8-20(26-27-22)17-2-3-17/h4-11,16-17H,2-3,12-15H2,1H3
InChIKeyFBFUOUNAOCISQC-UHFFFAOYSA-N
MW448.50 g/mol
LogP2.63
Rot. Bonds5

About 2-[1-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-1-oxopropan-2-yl]-6-(4-fluorophenyl)pyridazin-3-one

2-[1-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-1-oxopropan-2-yl]-6-(4-fluorophenyl)pyridazin-3-one (PubChem CID 122279517) has the molecular formula C24H25FN6O2 and a molecular weight of 448.50 g/mol. Its IUPAC name is 2-[1-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-1-oxopropan-2-yl]-6-(4-fluorophenyl)pyridazin-3-one.

Molecular Properties

Compound Name2-[1-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-1-oxopropan-2-yl]-6-(4-fluorophenyl)pyridazin-3-one
PubChem CID122279517
Molecular FormulaC24H25FN6O2
Molecular Weight448.50 g/mol
Exact Mass448.20
IUPAC Name2-[1-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-1-oxopropan-2-yl]-6-(4-fluorophenyl)pyridazin-3-one
SMILESCC(C(=O)N1CCN(c2ccc(C3CC3)nn2)CC1)n1nc(-c2ccc(F)cc2)ccc1=O
InChIInChI=1S/C24H25FN6O2/c1-16(31-23(32)11-9-21(28-31)18-4-6-19(25)7-5-18)24(33)30-14-12-29(13-15-30)22-10-8-20(26-27-22)17-2-3-17/h4-11,16-17H,2-3,12-15H2,1H3
InChIKeyFBFUOUNAOCISQC-UHFFFAOYSA-N
XLogP2.63
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[1-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-1-oxopropan-2-yl]-6-(4-fluorophenyl)pyridazin-3-one with MolForge

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

Launch Full Analysis

Related Compounds

2-[1-(azepan-1-yl)-1-oxopropan-2-yl]-6-cyclopropylpyridazin-3-one
CID 122278751
N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(3-cyclopropyl-6-oxopyridazin-1-yl)propanamide
CID 122279108
2-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-6-(furan-2-yl)pyridazin-3-one
CID 121075989
6-(4-fluorophenyl)-2-[2-oxo-2-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethyl]pyridazin-3-one
CID 121146070
1-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-2-phenoxypropan-1-one
CID 122279328
cyclopropyl-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122279215
2-[1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-1-oxopropan-2-yl]-6-(4-ethoxyphenyl)pyridazin-3-one
CID 122281443
[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 122279228
2-[1-[4-(2-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-6-pyrazol-1-ylpyridazin-3-one
CID 90517442
6-[4-(6-cyclopropylpyridazin-3-yl)piperazine-1-carbonyl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one
CID 122279363
2-(1-morpholin-4-yl-1-oxopropan-2-yl)-6-pyridin-4-ylpyridazin-3-one
CID 121101087
2-[1-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-1-oxopropan-2-yl]-6-thiophen-2-ylpyridazin-3-one
CID 121113962

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-1-oxopropan-2-yl]-6-(4-fluorophenyl)pyridazin-3-one?
The IUPAC name of 2-[1-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-1-oxopropan-2-yl]-6-(4-fluorophenyl)pyridazin-3-one (CID 122279517) is 2-[1-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-1-oxopropan-2-yl]-6-(4-fluorophenyl)pyridazin-3-one.
What is the SMILES notation for 2-[1-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-1-oxopropan-2-yl]-6-(4-fluorophenyl)pyridazin-3-one?
The canonical SMILES for 2-[1-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-1-oxopropan-2-yl]-6-(4-fluorophenyl)pyridazin-3-one is CC(C(=O)N1CCN(c2ccc(C3CC3)nn2)CC1)n1nc(-c2ccc(F)cc2)ccc1=O.
What is the InChIKey of 2-[1-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-1-oxopropan-2-yl]-6-(4-fluorophenyl)pyridazin-3-one?
The InChIKey is FBFUOUNAOCISQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN6O2/c1-16(31-23(32)11-9-21(28-31)18-4-6-19(25)7-5-18)24(33)30-14-12-29(13-15-30)22-10-8-20(26-27-22)17-2-3-17/h4-11,16-17H,2-3,12-15H2,1H3.
What are the key properties of 2-[1-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-1-oxopropan-2-yl]-6-(4-fluorophenyl)pyridazin-3-one?
2-[1-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-1-oxopropan-2-yl]-6-(4-fluorophenyl)pyridazin-3-one has a molecular weight of 448.50 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-1-oxopropan-2-yl]-6-(4-fluorophenyl)pyridazin-3-one is sourced from PubChem (CID 122279517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).