2-(7-chloro-5-methyl-4-oxo-3-pyridin-4-ylpyridazino[4,5-b]indol-1-yl)-N,N-dimethylacetamide;hydrochloride

C20H19Cl2N5O2 — CID 10216673

IUPAC2-(7-chloro-5-methyl-4-oxo-3-pyridin-4-ylpyridazino[4,5-b]indol-1-yl)-N,N-dimethylacetamide;hydrochloride
SMILESCN(C)C(=O)Cc1nn(-c2ccncc2)c(=O)c2c1c1ccc(Cl)cc1n2C.Cl
InChIInChI=1S/C20H18ClN5O2.ClH/c1-24(2)17(27)11-15-18-14-5-4-12(21)10-16(14)25(3)19(18)20(28)26(23-15)13-6-8-22-9-7-13;/h4-10H,11H2,1-3H3;1H
InChIKeyWYNSONUZMAFICG-UHFFFAOYSA-N
MW432.31 g/mol
LogP2.98
Rot. Bonds3

About 2-(7-chloro-5-methyl-4-oxo-3-pyridin-4-ylpyridazino[4,5-b]indol-1-yl)-N,N-dimethylacetamide;hydrochloride

2-(7-chloro-5-methyl-4-oxo-3-pyridin-4-ylpyridazino[4,5-b]indol-1-yl)-N,N-dimethylacetamide;hydrochloride (PubChem CID 10216673) has the molecular formula C20H19Cl2N5O2 and a molecular weight of 432.31 g/mol. Its IUPAC name is 2-(7-chloro-5-methyl-4-oxo-3-pyridin-4-ylpyridazino[4,5-b]indol-1-yl)-N,N-dimethylacetamide;hydrochloride.

Molecular Properties

Compound Name2-(7-chloro-5-methyl-4-oxo-3-pyridin-4-ylpyridazino[4,5-b]indol-1-yl)-N,N-dimethylacetamide;hydrochloride
PubChem CID10216673
Molecular FormulaC20H19Cl2N5O2
Molecular Weight432.31 g/mol
Exact Mass431.09
IUPAC Name2-(7-chloro-5-methyl-4-oxo-3-pyridin-4-ylpyridazino[4,5-b]indol-1-yl)-N,N-dimethylacetamide;hydrochloride
SMILESCN(C)C(=O)Cc1nn(-c2ccncc2)c(=O)c2c1c1ccc(Cl)cc1n2C.Cl
InChIInChI=1S/C20H18ClN5O2.ClH/c1-24(2)17(27)11-15-18-14-5-4-12(21)10-16(14)25(3)19(18)20(28)26(23-15)13-6-8-22-9-7-13;/h4-10H,11H2,1-3H3;1H
InChIKeyWYNSONUZMAFICG-UHFFFAOYSA-N
XLogP2.98
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.31
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Analyze 2-(7-chloro-5-methyl-4-oxo-3-pyridin-4-ylpyridazino[4,5-b]indol-1-yl)-N,N-dimethylacetamide;hydrochloride 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 2-(7-chloro-5-methyl-4-oxo-3-pyridin-4-ylpyridazino[4,5-b]indol-1-yl)-N,N-dimethylacetamide;hydrochloride?
The IUPAC name of 2-(7-chloro-5-methyl-4-oxo-3-pyridin-4-ylpyridazino[4,5-b]indol-1-yl)-N,N-dimethylacetamide;hydrochloride (CID 10216673) is 2-(7-chloro-5-methyl-4-oxo-3-pyridin-4-ylpyridazino[4,5-b]indol-1-yl)-N,N-dimethylacetamide;hydrochloride.
What is the SMILES notation for 2-(7-chloro-5-methyl-4-oxo-3-pyridin-4-ylpyridazino[4,5-b]indol-1-yl)-N,N-dimethylacetamide;hydrochloride?
The canonical SMILES for 2-(7-chloro-5-methyl-4-oxo-3-pyridin-4-ylpyridazino[4,5-b]indol-1-yl)-N,N-dimethylacetamide;hydrochloride is CN(C)C(=O)Cc1nn(-c2ccncc2)c(=O)c2c1c1ccc(Cl)cc1n2C.Cl.
What is the InChIKey of 2-(7-chloro-5-methyl-4-oxo-3-pyridin-4-ylpyridazino[4,5-b]indol-1-yl)-N,N-dimethylacetamide;hydrochloride?
The InChIKey is WYNSONUZMAFICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN5O2.ClH/c1-24(2)17(27)11-15-18-14-5-4-12(21)10-16(14)25(3)19(18)20(28)26(23-15)13-6-8-22-9-7-13;/h4-10H,11H2,1-3H3;1H.
What are the key properties of 2-(7-chloro-5-methyl-4-oxo-3-pyridin-4-ylpyridazino[4,5-b]indol-1-yl)-N,N-dimethylacetamide;hydrochloride?
2-(7-chloro-5-methyl-4-oxo-3-pyridin-4-ylpyridazino[4,5-b]indol-1-yl)-N,N-dimethylacetamide;hydrochloride has a molecular weight of 432.31 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-5-methyl-4-oxo-3-pyridin-4-ylpyridazino[4,5-b]indol-1-yl)-N,N-dimethylacetamide;hydrochloride is sourced from PubChem (CID 10216673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).