5,9-dimethyl-3-phenylpyridazino[4,5-b]indol-4-one

C18H15N3O — CID 139892501

IUPAC5,9-dimethyl-3-phenylpyridazino[4,5-b]indol-4-one
SMILESCc1cccc2c1c1cnn(-c3ccccc3)c(=O)c1n2C
InChIInChI=1S/C18H15N3O/c1-12-7-6-10-15-16(12)14-11-19-21(13-8-4-3-5-9-13)18(22)17(14)20(15)2/h3-11H,1-2H3
InChIKeyCITPYDBOVMZGCL-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.19
Rot. Bonds1

About 5,9-dimethyl-3-phenylpyridazino[4,5-b]indol-4-one

5,9-dimethyl-3-phenylpyridazino[4,5-b]indol-4-one (PubChem CID 139892501) has the molecular formula C18H15N3O and a molecular weight of 289.34 g/mol. Its IUPAC name is 5,9-dimethyl-3-phenylpyridazino[4,5-b]indol-4-one.

Molecular Properties

Compound Name5,9-dimethyl-3-phenylpyridazino[4,5-b]indol-4-one
PubChem CID139892501
Molecular FormulaC18H15N3O
Molecular Weight289.34 g/mol
Exact Mass289.12
IUPAC Name5,9-dimethyl-3-phenylpyridazino[4,5-b]indol-4-one
SMILESCc1cccc2c1c1cnn(-c3ccccc3)c(=O)c1n2C
InChIInChI=1S/C18H15N3O/c1-12-7-6-10-15-16(12)14-11-19-21(13-8-4-3-5-9-13)18(22)17(14)20(15)2/h3-11H,1-2H3
InChIKeyCITPYDBOVMZGCL-UHFFFAOYSA-N
XLogP3.19
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5,9-dimethyl-3-phenylpyridazino[4,5-b]indol-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

Related Compounds

3-[(3-methoxyphenyl)methyl]-5,9-dimethylpyridazino[4,5-b]indol-4-one
CID 154681916
5,7-dimethyl-6-pentyl-3-phenylpyrrolo[3,4-d]pyridazin-4-one
CID 118579926
5-ethyl-8-methyl-3-phenylpyridazino[4,5-b]indol-4-one
CID 4902245
5-methyl-1-phenyl-7H-pyrazolo[5,4-d]pyrimidine-4,6-dione
CID 135485986
7-chloro-5-methyl-3-pyridin-3-ylpyridazino[4,5-b]indol-4-one
CID 141070390
3-(5-chloropyrazin-2-yl)-5-methylpyridazino[4,5-b]indol-4-one
CID 167949386
2-(5,7-dimethyl-4-oxo-3-phenylpyrrolo[3,4-d]pyridazin-6-yl)acetic acid
CID 20887936
3-(4-methoxyphenyl)-5,7-dimethylpyridazino[4,5-b]indol-4-one
CID 4903253
N-ethyl-5,9-dimethyl-3-(4-methylphenyl)-4-oxo-N-phenylpyridazino[4,5-b]indole-1-carboxamide
CID 87055362
5,7-dimethyl-3-phenyl-6-pyridin-2-ylpyrrolo[3,4-d]pyridazin-4-one
CID 166126765
4-bromo-5-methyl-1-phenylindazole
CID 74888869
6-[3-(dimethylamino)phenyl]-5,7-dimethyl-3-phenylpyrrolo[3,4-d]pyridazin-4-one
CID 170983303

Frequently Asked Questions

What is the IUPAC name of 5,9-dimethyl-3-phenylpyridazino[4,5-b]indol-4-one?
The IUPAC name of 5,9-dimethyl-3-phenylpyridazino[4,5-b]indol-4-one (CID 139892501) is 5,9-dimethyl-3-phenylpyridazino[4,5-b]indol-4-one.
What is the SMILES notation for 5,9-dimethyl-3-phenylpyridazino[4,5-b]indol-4-one?
The canonical SMILES for 5,9-dimethyl-3-phenylpyridazino[4,5-b]indol-4-one is Cc1cccc2c1c1cnn(-c3ccccc3)c(=O)c1n2C.
What is the InChIKey of 5,9-dimethyl-3-phenylpyridazino[4,5-b]indol-4-one?
The InChIKey is CITPYDBOVMZGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O/c1-12-7-6-10-15-16(12)14-11-19-21(13-8-4-3-5-9-13)18(22)17(14)20(15)2/h3-11H,1-2H3.
What are the key properties of 5,9-dimethyl-3-phenylpyridazino[4,5-b]indol-4-one?
5,9-dimethyl-3-phenylpyridazino[4,5-b]indol-4-one has a molecular weight of 289.34 g/mol, XLogP of 3.19, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,9-dimethyl-3-phenylpyridazino[4,5-b]indol-4-one is sourced from PubChem (CID 139892501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).