2-[2-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-3-one

C20H21ClN6O — CID 126915851

IUPAC2-[2-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-3-one
SMILESO=c1ccc(-c2ccncc2)nn1CCN1CCN(c2ccncc2Cl)CC1
InChIInChI=1S/C20H21ClN6O/c21-17-15-23-8-5-19(17)26-12-9-25(10-13-26)11-14-27-20(28)2-1-18(24-27)16-3-6-22-7-4-16/h1-8,15H,9-14H2
InChIKeyRRHMJCWCYLFZDI-UHFFFAOYSA-N
MW396.88 g/mol
LogP2.18
Rot. Bonds5

About 2-[2-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-3-one

2-[2-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-3-one (PubChem CID 126915851) has the molecular formula C20H21ClN6O and a molecular weight of 396.88 g/mol. Its IUPAC name is 2-[2-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-3-one
PubChem CID126915851
Molecular FormulaC20H21ClN6O
Molecular Weight396.88 g/mol
Exact Mass396.15
IUPAC Name2-[2-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-3-one
SMILESO=c1ccc(-c2ccncc2)nn1CCN1CCN(c2ccncc2Cl)CC1
InChIInChI=1S/C20H21ClN6O/c21-17-15-23-8-5-19(17)26-12-9-25(10-13-26)11-14-27-20(28)2-1-18(24-27)16-3-6-22-7-4-16/h1-8,15H,9-14H2
InChIKeyRRHMJCWCYLFZDI-UHFFFAOYSA-N
XLogP2.18
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.88
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[2-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-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-[2-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]-6-pyridin-4-ylpyridazin-3-one
CID 126915844
6-pyridin-4-yl-2-[2-(4-pyrimidin-4-ylpiperazin-1-yl)ethyl]pyridazin-3-one
CID 126916000
6-pyridin-4-yl-2-[2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]pyridazin-3-one
CID 126915847
3-[4-[2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)ethyl]piperazin-1-yl]pyrazine-2-carbonitrile
CID 126915845
2-[2-[4-(6-pyrazol-1-ylpyrazin-2-yl)piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-3-one
CID 126916015
2-[2-[4-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-3-one
CID 126915902
6-pyridin-4-yl-2-[2-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-ylmethyl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 126915969
2-[2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethyl]-6-pyridin-3-ylpyridazin-3-one
CID 126915576
N-cycloheptyl-4-[2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)ethyl]piperazine-1-carboxamide
CID 126915800
2-[4-[2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)ethyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 126915561
2-[4-[2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)ethyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 126916016
2-[2-[4-(2-methyl-1,3-thiazole-4-carbonyl)piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-3-one
CID 126915803

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-3-one?
The IUPAC name of 2-[2-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-3-one (CID 126915851) is 2-[2-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-3-one.
What is the SMILES notation for 2-[2-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-3-one?
The canonical SMILES for 2-[2-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-3-one is O=c1ccc(-c2ccncc2)nn1CCN1CCN(c2ccncc2Cl)CC1.
What is the InChIKey of 2-[2-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-3-one?
The InChIKey is RRHMJCWCYLFZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN6O/c21-17-15-23-8-5-19(17)26-12-9-25(10-13-26)11-14-27-20(28)2-1-18(24-27)16-3-6-22-7-4-16/h1-8,15H,9-14H2.
What are the key properties of 2-[2-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-3-one?
2-[2-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-3-one has a molecular weight of 396.88 g/mol, XLogP of 2.18, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]ethyl]-6-pyridin-4-ylpyridazin-3-one is sourced from PubChem (CID 126915851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).