4,6-dichloro-2-[(3,5-dimethoxyphenyl)methyl]-7-fluoro-1-methylpyrrolo[3,4-c]pyridin-3-ol

C17H15Cl2FN2O3 — CID 137098274

IUPAC4,6-dichloro-2-[(3,5-dimethoxyphenyl)methyl]-7-fluoro-1-methylpyrrolo[3,4-c]pyridin-3-ol
SMILESCOc1cc(Cn2c(C)c3c(F)c(Cl)nc(Cl)c3c2O)cc(OC)c1
InChIInChI=1S/C17H15Cl2FN2O3/c1-8-12-13(15(18)21-16(19)14(12)20)17(23)22(8)7-9-4-10(24-2)6-11(5-9)25-3/h4-6,23H,7H2,1-3H3
InChIKeyUEIMTNXNAFOFDG-UHFFFAOYSA-N
MW385.22 g/mol
LogP4.56
Rot. Bonds4

About 4,6-dichloro-2-[(3,5-dimethoxyphenyl)methyl]-7-fluoro-1-methylpyrrolo[3,4-c]pyridin-3-ol

4,6-dichloro-2-[(3,5-dimethoxyphenyl)methyl]-7-fluoro-1-methylpyrrolo[3,4-c]pyridin-3-ol (PubChem CID 137098274) has the molecular formula C17H15Cl2FN2O3 and a molecular weight of 385.22 g/mol. Its IUPAC name is 4,6-dichloro-2-[(3,5-dimethoxyphenyl)methyl]-7-fluoro-1-methylpyrrolo[3,4-c]pyridin-3-ol.

Molecular Properties

Compound Name4,6-dichloro-2-[(3,5-dimethoxyphenyl)methyl]-7-fluoro-1-methylpyrrolo[3,4-c]pyridin-3-ol
PubChem CID137098274
Molecular FormulaC17H15Cl2FN2O3
Molecular Weight385.22 g/mol
Exact Mass384.04
IUPAC Name4,6-dichloro-2-[(3,5-dimethoxyphenyl)methyl]-7-fluoro-1-methylpyrrolo[3,4-c]pyridin-3-ol
SMILESCOc1cc(Cn2c(C)c3c(F)c(Cl)nc(Cl)c3c2O)cc(OC)c1
InChIInChI=1S/C17H15Cl2FN2O3/c1-8-12-13(15(18)21-16(19)14(12)20)17(23)22(8)7-9-4-10(24-2)6-11(5-9)25-3/h4-6,23H,7H2,1-3H3
InChIKeyUEIMTNXNAFOFDG-UHFFFAOYSA-N
XLogP4.56
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.22
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 4,6-dichloro-2-[(3,5-dimethoxyphenyl)methyl]-7-fluoro-1-methylpyrrolo[3,4-c]pyridin-3-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

4,6-Dichloro-2-[(2,4-dimethoxyphenyl)methyl]-7-fluoropyrrolo[3,4-c]pyridin-3-ol
CID 137061468
4-Chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7-methylpyrrolo[3,4-b]pyridin-5-ol
CID 137099292
4,6-Dichloro-7-fluoro-2-[[2-(hydroxymethyl)-4-methoxyphenyl]methyl]pyrrolo[3,4-c]pyridin-3-ol
CID 137153287
4,6-Dichloro-2-[(3,5-dimethoxyphenyl)methyl]-7-fluoro-1-methyl-1,3-dihydropyrrolo[3,4-c]pyridine
CID 141301456
4,6-Dichloro-2-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-1,3-dihydropyrrolo[3,4-c]pyridin-3-ol
CID 146367312

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-[(3,5-dimethoxyphenyl)methyl]-7-fluoro-1-methylpyrrolo[3,4-c]pyridin-3-ol?
The IUPAC name of 4,6-dichloro-2-[(3,5-dimethoxyphenyl)methyl]-7-fluoro-1-methylpyrrolo[3,4-c]pyridin-3-ol (CID 137098274) is 4,6-dichloro-2-[(3,5-dimethoxyphenyl)methyl]-7-fluoro-1-methylpyrrolo[3,4-c]pyridin-3-ol.
What is the SMILES notation for 4,6-dichloro-2-[(3,5-dimethoxyphenyl)methyl]-7-fluoro-1-methylpyrrolo[3,4-c]pyridin-3-ol?
The canonical SMILES for 4,6-dichloro-2-[(3,5-dimethoxyphenyl)methyl]-7-fluoro-1-methylpyrrolo[3,4-c]pyridin-3-ol is COc1cc(Cn2c(C)c3c(F)c(Cl)nc(Cl)c3c2O)cc(OC)c1.
What is the InChIKey of 4,6-dichloro-2-[(3,5-dimethoxyphenyl)methyl]-7-fluoro-1-methylpyrrolo[3,4-c]pyridin-3-ol?
The InChIKey is UEIMTNXNAFOFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2FN2O3/c1-8-12-13(15(18)21-16(19)14(12)20)17(23)22(8)7-9-4-10(24-2)6-11(5-9)25-3/h4-6,23H,7H2,1-3H3.
What are the key properties of 4,6-dichloro-2-[(3,5-dimethoxyphenyl)methyl]-7-fluoro-1-methylpyrrolo[3,4-c]pyridin-3-ol?
4,6-dichloro-2-[(3,5-dimethoxyphenyl)methyl]-7-fluoro-1-methylpyrrolo[3,4-c]pyridin-3-ol has a molecular weight of 385.22 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-[(3,5-dimethoxyphenyl)methyl]-7-fluoro-1-methylpyrrolo[3,4-c]pyridin-3-ol is sourced from PubChem (CID 137098274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).