4-[6-(5-chloro-2-methoxyanilino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde

C17H18ClN5O3 — CID 109117020

IUPAC4-[6-(5-chloro-2-methoxyanilino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde
SMILESCOc1ccc(Cl)cc1Nc1ccc(C(=O)N2CCN(C=O)CC2)nn1
InChIInChI=1S/C17H18ClN5O3/c1-26-15-4-2-12(18)10-14(15)19-16-5-3-13(20-21-16)17(25)23-8-6-22(11-24)7-9-23/h2-5,10-11H,6-9H2,1H3,(H,19,21)
InChIKeyKKJBQULWKVJAHN-UHFFFAOYSA-N
MW375.82 g/mol
LogP1.80
Rot. Bonds5

About 4-[6-(5-chloro-2-methoxyanilino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde

4-[6-(5-chloro-2-methoxyanilino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde (PubChem CID 109117020) has the molecular formula C17H18ClN5O3 and a molecular weight of 375.82 g/mol. Its IUPAC name is 4-[6-(5-chloro-2-methoxyanilino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-[6-(5-chloro-2-methoxyanilino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde
PubChem CID109117020
Molecular FormulaC17H18ClN5O3
Molecular Weight375.82 g/mol
Exact Mass375.11
IUPAC Name4-[6-(5-chloro-2-methoxyanilino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde
SMILESCOc1ccc(Cl)cc1Nc1ccc(C(=O)N2CCN(C=O)CC2)nn1
InChIInChI=1S/C17H18ClN5O3/c1-26-15-4-2-12(18)10-14(15)19-16-5-3-13(20-21-16)17(25)23-8-6-22(11-24)7-9-23/h2-5,10-11H,6-9H2,1H3,(H,19,21)
InChIKeyKKJBQULWKVJAHN-UHFFFAOYSA-N
XLogP1.80
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.82
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 4-[6-(5-chloro-2-methoxyanilino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde 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

4-[4-(5-chloro-2-methoxyanilino)pyridine-2-carbonyl]piperazine-1-carbaldehyde
CID 109208801
1-[4-[6-(2,5-dichloroanilino)pyridazine-3-carbonyl]piperazin-1-yl]ethanone
CID 109117331
1-[4-[6-(5-chloro-2-methylanilino)pyridazine-3-carbonyl]piperazin-1-yl]ethanone
CID 109117291
[6-(2,5-dimethoxyanilino)pyridazin-3-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109116727
4-[6-(5-chloro-2-methoxyanilino)pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112858305
4-[6-(2,4,6-trimethylanilino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde
CID 109117003
6-(5-chloro-2-methoxyanilino)-N-(2-methylpropyl)pyridazine-3-carboxamide
CID 109111275
4-[6-[2-(2-methoxyphenyl)ethylamino]pyridazine-3-carbonyl]piperazine-1-carbaldehyde
CID 109116947
N-(5-chloro-2-methoxyphenyl)-3-(4-formylpiperazin-1-yl)-3-oxopropanamide
CID 108944777
[6-(4-chloro-2-methylanilino)pyridazin-3-yl]-piperidin-1-ylmethanone
CID 109112734
4-[6-(propan-2-ylamino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde
CID 109109417
4-[6-(tert-butylamino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde
CID 109116972

Frequently Asked Questions

What is the IUPAC name of 4-[6-(5-chloro-2-methoxyanilino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde?
The IUPAC name of 4-[6-(5-chloro-2-methoxyanilino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde (CID 109117020) is 4-[6-(5-chloro-2-methoxyanilino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde.
What is the SMILES notation for 4-[6-(5-chloro-2-methoxyanilino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde?
The canonical SMILES for 4-[6-(5-chloro-2-methoxyanilino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde is COc1ccc(Cl)cc1Nc1ccc(C(=O)N2CCN(C=O)CC2)nn1.
What is the InChIKey of 4-[6-(5-chloro-2-methoxyanilino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde?
The InChIKey is KKJBQULWKVJAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5O3/c1-26-15-4-2-12(18)10-14(15)19-16-5-3-13(20-21-16)17(25)23-8-6-22(11-24)7-9-23/h2-5,10-11H,6-9H2,1H3,(H,19,21).
What are the key properties of 4-[6-(5-chloro-2-methoxyanilino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde?
4-[6-(5-chloro-2-methoxyanilino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde has a molecular weight of 375.82 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(5-chloro-2-methoxyanilino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde is sourced from PubChem (CID 109117020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).