1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(4-cyclopropyl-3-fluorophenyl)ethanone

C19H20ClFN4O — CID 142616838

IUPAC1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(4-cyclopropyl-3-fluorophenyl)ethanone
SMILESO=C(Cc1ccc(C2CC2)c(F)c1)N1CCN(c2ccc(Cl)nn2)CC1
InChIInChI=1S/C19H20ClFN4O/c20-17-5-6-18(23-22-17)24-7-9-25(10-8-24)19(26)12-13-1-4-15(14-2-3-14)16(21)11-13/h1,4-6,11,14H,2-3,7-10,12H2
InChIKeyGGZFNPBICDFCKG-UHFFFAOYSA-N
MW374.85 g/mol
LogP3.04
Rot. Bonds4

About 1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(4-cyclopropyl-3-fluorophenyl)ethanone

1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(4-cyclopropyl-3-fluorophenyl)ethanone (PubChem CID 142616838) has the molecular formula C19H20ClFN4O and a molecular weight of 374.85 g/mol. Its IUPAC name is 1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(4-cyclopropyl-3-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(4-cyclopropyl-3-fluorophenyl)ethanone
PubChem CID142616838
Molecular FormulaC19H20ClFN4O
Molecular Weight374.85 g/mol
Exact Mass374.13
IUPAC Name1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(4-cyclopropyl-3-fluorophenyl)ethanone
SMILESO=C(Cc1ccc(C2CC2)c(F)c1)N1CCN(c2ccc(Cl)nn2)CC1
InChIInChI=1S/C19H20ClFN4O/c20-17-5-6-18(23-22-17)24-7-9-25(10-8-24)19(26)12-13-1-4-15(14-2-3-14)16(21)11-13/h1,4-6,11,14H,2-3,7-10,12H2
InChIKeyGGZFNPBICDFCKG-UHFFFAOYSA-N
XLogP3.04
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.85
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(4-cyclopropyl-3-fluorophenyl)ethanone with MolForge

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Related Compounds

6-(4-(2-(4-Isopropylphenyl)acetyl)piperazin-1-yl)pyridazine-3-carbonitrile
CID 132260806
1-[4-(6-Chloropyridazin-3-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone
CID 132261079
6-{4-[(4-Cyclopropyl-2-fluorophenyl)acetyl]piperazin-1-yl}pyridazine-3-carbonitrile
CID 142616992
6-[4-(2-CHLORO-5-FLUOROBENZOYL)PIPERAZIN-1-YL]PYRIDAZINE-3-CARBOXYLIC Acid (2-CYCLOPROPYLETHYL)AMIDE
CID 11453250
6-{4-[(4-Cyclopropylphenyl)acetyl]piperazin-1-yl}pyridazine-3-carbonitrile
CID 132261124
1-[(2R)-4-(6-chloropyridazin-3-yl)-2-methylpiperazin-1-yl]-2-(4-cyclopropylphenyl)ethan-1-one
CID 142616847
6-{4-[(4-Cyclopropyl-3-fluorophenyl)acetyl]piperazin-1-yl}pyridazine-3-carbonitrile
CID 142616879
1-[4-(6-Chloropyridazin-3-yl)piperazin-1-yl]-2-(4-cyclopropylphenyl)ethan-1-one
CID 142616895
1-[4-(6-Chloropyridazin-3-yl)piperazin-1-yl]-2-[4-(dimethylamino)phenyl]ethan-1-one
CID 155161520
(4-Chlorophenyl)(4-(6-methylpyridazin-3-yl)piperazin-1-yl)methanone
CID 46912172
6-[4-[2-[4-(1,1,1-Trifluoropropan-2-yl)phenyl]acetyl]piperazin-1-yl]pyridazine-3-carbonitrile
CID 132261299
CID 132261530
CID 132261530

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(4-cyclopropyl-3-fluorophenyl)ethanone?
The IUPAC name of 1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(4-cyclopropyl-3-fluorophenyl)ethanone (CID 142616838) is 1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(4-cyclopropyl-3-fluorophenyl)ethanone.
What is the SMILES notation for 1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(4-cyclopropyl-3-fluorophenyl)ethanone?
The canonical SMILES for 1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(4-cyclopropyl-3-fluorophenyl)ethanone is O=C(Cc1ccc(C2CC2)c(F)c1)N1CCN(c2ccc(Cl)nn2)CC1.
What is the InChIKey of 1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(4-cyclopropyl-3-fluorophenyl)ethanone?
The InChIKey is GGZFNPBICDFCKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN4O/c20-17-5-6-18(23-22-17)24-7-9-25(10-8-24)19(26)12-13-1-4-15(14-2-3-14)16(21)11-13/h1,4-6,11,14H,2-3,7-10,12H2.
What are the key properties of 1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(4-cyclopropyl-3-fluorophenyl)ethanone?
1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(4-cyclopropyl-3-fluorophenyl)ethanone has a molecular weight of 374.85 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(4-cyclopropyl-3-fluorophenyl)ethanone is sourced from PubChem (CID 142616838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).