6-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-dihydropyrrolo[3,4-c]pyridin-7-ol

C17H20N2O4 — CID 14989697

IUPAC6-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-dihydropyrrolo[3,4-c]pyridin-7-ol
SMILESCOc1cc(N2Cc3cnc(C)c(O)c3C2)cc(OC)c1OC
InChIInChI=1S/C17H20N2O4/c1-10-16(20)13-9-19(8-11(13)7-18-10)12-5-14(21-2)17(23-4)15(6-12)22-3/h5-7,20H,8-9H2,1-4H3
InChIKeyDDJJKQXVGWCZGO-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.64
Rot. Bonds4

About 6-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-dihydropyrrolo[3,4-c]pyridin-7-ol

6-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-dihydropyrrolo[3,4-c]pyridin-7-ol (PubChem CID 14989697) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is 6-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-dihydropyrrolo[3,4-c]pyridin-7-ol.

Molecular Properties

Compound Name6-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-dihydropyrrolo[3,4-c]pyridin-7-ol
PubChem CID14989697
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name6-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-dihydropyrrolo[3,4-c]pyridin-7-ol
SMILESCOc1cc(N2Cc3cnc(C)c(O)c3C2)cc(OC)c1OC
InChIInChI=1S/C17H20N2O4/c1-10-16(20)13-9-19(8-11(13)7-18-10)12-5-14(21-2)17(23-4)15(6-12)22-3/h5-7,20H,8-9H2,1-4H3
InChIKeyDDJJKQXVGWCZGO-UHFFFAOYSA-N
XLogP2.64
TPSA64.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 6-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-dihydropyrrolo[3,4-c]pyridin-7-ol 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

2-(3-methoxyphenyl)-6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-7-ol
CID 14989694
2-(4-hydroxy-2-methoxyphenyl)-6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-7-ol
CID 14989705
(3,4-dimethylphenyl)-[4-(3,4,5-trimethoxyphenyl)piperazin-1-yl]methanone
CID 113079974
[(4S)-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-isoquinolin-4-yl]methanol
CID 102233510
1-(3,4,5-trimethoxyphenyl)piperazine;hydrobromide
CID 12899422
2-chloro-1-[4-(3,4,5-trimethoxyphenyl)piperazin-1-yl]ethanone
CID 4670659
4-(1,3-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)-6-methoxyquinazolin-7-ol;methane
CID 158708071
[3,5-bis[(3,4,5-trimethoxybenzoyl)oxy]phenyl] 3,4,5-trimethoxybenzoate
CID 67989294
4-methyl-1-(3,4,5-trimethoxyphenyl)imidazole
CID 147782659
4-(1,3-dihydroisoindol-2-yl)-6-methoxyquinazolin-7-ol
CID 143413846
2,5-dimethyl-1-(3,4,5-trimethoxyphenyl)pyrrole
CID 43394694
5-methoxy-2,6-dimethyl-1,3-dihydroisoindol-4-ol
CID 130035071

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-dihydropyrrolo[3,4-c]pyridin-7-ol?
The IUPAC name of 6-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-dihydropyrrolo[3,4-c]pyridin-7-ol (CID 14989697) is 6-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-dihydropyrrolo[3,4-c]pyridin-7-ol.
What is the SMILES notation for 6-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-dihydropyrrolo[3,4-c]pyridin-7-ol?
The canonical SMILES for 6-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-dihydropyrrolo[3,4-c]pyridin-7-ol is COc1cc(N2Cc3cnc(C)c(O)c3C2)cc(OC)c1OC.
What is the InChIKey of 6-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-dihydropyrrolo[3,4-c]pyridin-7-ol?
The InChIKey is DDJJKQXVGWCZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-10-16(20)13-9-19(8-11(13)7-18-10)12-5-14(21-2)17(23-4)15(6-12)22-3/h5-7,20H,8-9H2,1-4H3.
What are the key properties of 6-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-dihydropyrrolo[3,4-c]pyridin-7-ol?
6-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-dihydropyrrolo[3,4-c]pyridin-7-ol has a molecular weight of 316.36 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-dihydropyrrolo[3,4-c]pyridin-7-ol is sourced from PubChem (CID 14989697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).