4-chloro-5-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-2-(4-nitrophenyl)pyridazin-3-one

C20H16ClN5O4 — CID 133285027

IUPAC4-chloro-5-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-2-(4-nitrophenyl)pyridazin-3-one
SMILESO=C(CNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl)N1CCc2ccccc21
InChIInChI=1S/C20H16ClN5O4/c21-19-16(22-12-18(27)24-10-9-13-3-1-2-4-17(13)24)11-23-25(20(19)28)14-5-7-15(8-6-14)26(29)30/h1-8,11,22H,9-10,12H2
InChIKeyQDVMNJOTOOBUQB-UHFFFAOYSA-N
MW425.83 g/mol
LogP2.80
Rot. Bonds5

About 4-chloro-5-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-2-(4-nitrophenyl)pyridazin-3-one

4-chloro-5-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-2-(4-nitrophenyl)pyridazin-3-one (PubChem CID 133285027) has the molecular formula C20H16ClN5O4 and a molecular weight of 425.83 g/mol. Its IUPAC name is 4-chloro-5-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-2-(4-nitrophenyl)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-2-(4-nitrophenyl)pyridazin-3-one
PubChem CID133285027
Molecular FormulaC20H16ClN5O4
Molecular Weight425.83 g/mol
Exact Mass425.09
IUPAC Name4-chloro-5-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-2-(4-nitrophenyl)pyridazin-3-one
SMILESO=C(CNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl)N1CCc2ccccc21
InChIInChI=1S/C20H16ClN5O4/c21-19-16(22-12-18(27)24-10-9-13-3-1-2-4-17(13)24)11-23-25(20(19)28)14-5-7-15(8-6-14)26(29)30/h1-8,11,22H,9-10,12H2
InChIKeyQDVMNJOTOOBUQB-UHFFFAOYSA-N
XLogP2.80
TPSA110.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.83
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-chloro-5-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-2-(4-nitrophenyl)pyridazin-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

4-chloro-2-(4-nitrophenyl)-5-[(4-nitrophenyl)methylamino]pyridazin-3-one
CID 133283797
2-benzyl-4-chloro-5-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]pyridazin-3-one
CID 133273149
2-chloro-N-[2-[[5-chloro-1-(4-nitrophenyl)-6-oxopyridazin-4-yl]amino]ethyl]benzamide
CID 133283041
4-chloro-2-(4-nitrophenyl)-5-[(2-pyrazol-1-ylphenyl)methylamino]pyridazin-3-one
CID 133284407
5-[(4-bromophenyl)methylamino]-4-chloro-2-(4-nitrophenyl)pyridazin-3-one
CID 133292929
4-chloro-5-[[1-(2-hydroxyethyl)cyclobutyl]methylamino]-2-(4-nitrophenyl)pyridazin-3-one
CID 133376121
(E)-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-(4-nitrophenyl)prop-2-enamide
CID 134022327
4-chloro-5-[4-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]piperazin-1-yl]-2-phenylpyridazin-3-one
CID 31922389
4-chloro-5-[(2-cyclobutyloxyphenyl)methylamino]-2-(4-nitrophenyl)pyridazin-3-one
CID 133308771
4-chloro-5-[[1-(2-fluorophenyl)piperidin-3-yl]amino]-2-(4-nitrophenyl)pyridazin-3-one
CID 133411898
5-[(3-bromothiophen-2-yl)methylamino]-4-chloro-2-(4-nitrophenyl)pyridazin-3-one
CID 133284598
4-chloro-5-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-(4-nitrophenyl)pyridazin-3-one
CID 133405612

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-2-(4-nitrophenyl)pyridazin-3-one?
The IUPAC name of 4-chloro-5-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-2-(4-nitrophenyl)pyridazin-3-one (CID 133285027) is 4-chloro-5-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-2-(4-nitrophenyl)pyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-2-(4-nitrophenyl)pyridazin-3-one?
The canonical SMILES for 4-chloro-5-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-2-(4-nitrophenyl)pyridazin-3-one is O=C(CNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl)N1CCc2ccccc21.
What is the InChIKey of 4-chloro-5-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-2-(4-nitrophenyl)pyridazin-3-one?
The InChIKey is QDVMNJOTOOBUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN5O4/c21-19-16(22-12-18(27)24-10-9-13-3-1-2-4-17(13)24)11-23-25(20(19)28)14-5-7-15(8-6-14)26(29)30/h1-8,11,22H,9-10,12H2.
What are the key properties of 4-chloro-5-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-2-(4-nitrophenyl)pyridazin-3-one?
4-chloro-5-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-2-(4-nitrophenyl)pyridazin-3-one has a molecular weight of 425.83 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-2-(4-nitrophenyl)pyridazin-3-one is sourced from PubChem (CID 133285027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).