3-[(3-methoxyphenyl)methyl]-5,9-dimethylpyridazino[4,5-b]indol-4-one

C20H19N3O2 — CID 154681916

IUPAC3-[(3-methoxyphenyl)methyl]-5,9-dimethylpyridazino[4,5-b]indol-4-one
SMILESCOc1cccc(Cn2ncc3c4c(C)cccc4n(C)c3c2=O)c1
InChIInChI=1S/C20H19N3O2/c1-13-6-4-9-17-18(13)16-11-21-23(20(24)19(16)22(17)2)12-14-7-5-8-15(10-14)25-3/h4-11H,12H2,1-3H3
InChIKeyZONAMVMNOTWPGJ-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.25
Rot. Bonds3

About 3-[(3-methoxyphenyl)methyl]-5,9-dimethylpyridazino[4,5-b]indol-4-one

3-[(3-methoxyphenyl)methyl]-5,9-dimethylpyridazino[4,5-b]indol-4-one (PubChem CID 154681916) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 3-[(3-methoxyphenyl)methyl]-5,9-dimethylpyridazino[4,5-b]indol-4-one.

Molecular Properties

Compound Name3-[(3-methoxyphenyl)methyl]-5,9-dimethylpyridazino[4,5-b]indol-4-one
PubChem CID154681916
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name3-[(3-methoxyphenyl)methyl]-5,9-dimethylpyridazino[4,5-b]indol-4-one
SMILESCOc1cccc(Cn2ncc3c4c(C)cccc4n(C)c3c2=O)c1
InChIInChI=1S/C20H19N3O2/c1-13-6-4-9-17-18(13)16-11-21-23(20(24)19(16)22(17)2)12-14-7-5-8-15(10-14)25-3/h4-11H,12H2,1-3H3
InChIKeyZONAMVMNOTWPGJ-UHFFFAOYSA-N
XLogP3.25
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[(3-methoxyphenyl)methyl]-5,9-dimethylpyridazino[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-methyl-8-(trifluoromethyl)pyridazino[4,5-b]indol-4-one
CID 154681762
4-bromo-10-[(3-methoxyphenyl)methyl]-7-methyl-3-thia-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one
CID 44543602
10-[(3-methoxyphenyl)methyl]-7-methyl-4-[(R)-methylsulfinyl]-3-thia-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one
CID 93473084
7-[(6-fluoro-2-pyridinyl)oxy]-3-[(3-methoxyphenyl)methyl]-5-methylpyridazino[4,5-b]indol-4-one
CID 162683538
4,5-dibromo-2-[(3-methoxyphenyl)methyl]pyridazin-3-one
CID 115576901
tert-butyl N-[3-[(8-methoxy-5-methyl-4-oxopyridazino[4,5-b]indol-3-yl)methyl]phenyl]carbamate
CID 162683615
7-hydroxy-3-[(4-methoxyphenyl)methyl]-5-methylpyridazino[4,5-b]indol-4-one
CID 162683757
3-[(3-methoxyphenyl)methyl]-1-methylquinazoline-2,4-dione
CID 91254141
10-[(3-methoxyphenyl)methyl]-4-methyl-9-oxo-3-thia-6,10,11-triazatricyclo[6.4.0.02,6]dodeca-1,4,7,11-tetraene-7-carboxamide
CID 154681897
2-[5-[(2,5-dimethylphenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 20892059
3-[(3-aminophenyl)methyl]-5-methyl-7-methylsulfanylpyridazino[4,5-b]indol-4-one
CID 162683493
3-(1H-indazol-4-ylmethyl)-7-[(4-methoxyphenyl)methyl]-5-methylpyridazino[4,5-b]indol-4-one
CID 162683822

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxyphenyl)methyl]-5,9-dimethylpyridazino[4,5-b]indol-4-one?
The IUPAC name of 3-[(3-methoxyphenyl)methyl]-5,9-dimethylpyridazino[4,5-b]indol-4-one (CID 154681916) is 3-[(3-methoxyphenyl)methyl]-5,9-dimethylpyridazino[4,5-b]indol-4-one.
What is the SMILES notation for 3-[(3-methoxyphenyl)methyl]-5,9-dimethylpyridazino[4,5-b]indol-4-one?
The canonical SMILES for 3-[(3-methoxyphenyl)methyl]-5,9-dimethylpyridazino[4,5-b]indol-4-one is COc1cccc(Cn2ncc3c4c(C)cccc4n(C)c3c2=O)c1.
What is the InChIKey of 3-[(3-methoxyphenyl)methyl]-5,9-dimethylpyridazino[4,5-b]indol-4-one?
The InChIKey is ZONAMVMNOTWPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-13-6-4-9-17-18(13)16-11-21-23(20(24)19(16)22(17)2)12-14-7-5-8-15(10-14)25-3/h4-11H,12H2,1-3H3.
What are the key properties of 3-[(3-methoxyphenyl)methyl]-5,9-dimethylpyridazino[4,5-b]indol-4-one?
3-[(3-methoxyphenyl)methyl]-5,9-dimethylpyridazino[4,5-b]indol-4-one has a molecular weight of 333.39 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxyphenyl)methyl]-5,9-dimethylpyridazino[4,5-b]indol-4-one is sourced from PubChem (CID 154681916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).