1-(2-chloro-4-pyridinyl)-3-[2-(2-chloro-4-pyridinyl)pyrazol-3-yl]pyridazin-4-one

C17H10Cl2N6O — CID 46872143

IUPAC1-(2-chloro-4-pyridinyl)-3-[2-(2-chloro-4-pyridinyl)pyrazol-3-yl]pyridazin-4-one
SMILESO=c1ccn(-c2ccnc(Cl)c2)nc1-c1ccnn1-c1ccnc(Cl)c1
InChIInChI=1S/C17H10Cl2N6O/c18-15-9-11(1-5-20-15)24-8-4-14(26)17(23-24)13-3-7-22-25(13)12-2-6-21-16(19)10-12/h1-10H
InChIKeyOPVGFGKLQRQNQE-UHFFFAOYSA-N
MW385.21 g/mol
LogP3.18
Rot. Bonds3

About 1-(2-chloro-4-pyridinyl)-3-[2-(2-chloro-4-pyridinyl)pyrazol-3-yl]pyridazin-4-one

1-(2-chloro-4-pyridinyl)-3-[2-(2-chloro-4-pyridinyl)pyrazol-3-yl]pyridazin-4-one (PubChem CID 46872143) has the molecular formula C17H10Cl2N6O and a molecular weight of 385.21 g/mol. Its IUPAC name is 1-(2-chloro-4-pyridinyl)-3-[2-(2-chloro-4-pyridinyl)pyrazol-3-yl]pyridazin-4-one.

Molecular Properties

Compound Name1-(2-chloro-4-pyridinyl)-3-[2-(2-chloro-4-pyridinyl)pyrazol-3-yl]pyridazin-4-one
PubChem CID46872143
Molecular FormulaC17H10Cl2N6O
Molecular Weight385.21 g/mol
Exact Mass384.03
IUPAC Name1-(2-chloro-4-pyridinyl)-3-[2-(2-chloro-4-pyridinyl)pyrazol-3-yl]pyridazin-4-one
SMILESO=c1ccn(-c2ccnc(Cl)c2)nc1-c1ccnn1-c1ccnc(Cl)c1
InChIInChI=1S/C17H10Cl2N6O/c18-15-9-11(1-5-20-15)24-8-4-14(26)17(23-24)13-3-7-22-25(13)12-2-6-21-16(19)10-12/h1-10H
InChIKeyOPVGFGKLQRQNQE-UHFFFAOYSA-N
XLogP3.18
TPSA78.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.21
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 1-(2-chloro-4-pyridinyl)-3-[2-(2-chloro-4-pyridinyl)pyrazol-3-yl]pyridazin-4-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 1-(2-chloro-4-pyridinyl)-3-[2-(2-chloro-4-pyridinyl)pyrazol-3-yl]pyridazin-4-one?
The IUPAC name of 1-(2-chloro-4-pyridinyl)-3-[2-(2-chloro-4-pyridinyl)pyrazol-3-yl]pyridazin-4-one (CID 46872143) is 1-(2-chloro-4-pyridinyl)-3-[2-(2-chloro-4-pyridinyl)pyrazol-3-yl]pyridazin-4-one.
What is the SMILES notation for 1-(2-chloro-4-pyridinyl)-3-[2-(2-chloro-4-pyridinyl)pyrazol-3-yl]pyridazin-4-one?
The canonical SMILES for 1-(2-chloro-4-pyridinyl)-3-[2-(2-chloro-4-pyridinyl)pyrazol-3-yl]pyridazin-4-one is O=c1ccn(-c2ccnc(Cl)c2)nc1-c1ccnn1-c1ccnc(Cl)c1.
What is the InChIKey of 1-(2-chloro-4-pyridinyl)-3-[2-(2-chloro-4-pyridinyl)pyrazol-3-yl]pyridazin-4-one?
The InChIKey is OPVGFGKLQRQNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl2N6O/c18-15-9-11(1-5-20-15)24-8-4-14(26)17(23-24)13-3-7-22-25(13)12-2-6-21-16(19)10-12/h1-10H.
What are the key properties of 1-(2-chloro-4-pyridinyl)-3-[2-(2-chloro-4-pyridinyl)pyrazol-3-yl]pyridazin-4-one?
1-(2-chloro-4-pyridinyl)-3-[2-(2-chloro-4-pyridinyl)pyrazol-3-yl]pyridazin-4-one has a molecular weight of 385.21 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-pyridinyl)-3-[2-(2-chloro-4-pyridinyl)pyrazol-3-yl]pyridazin-4-one is sourced from PubChem (CID 46872143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).