6-[[2-fluoro-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]methyl]pyrrolo[3,4-b]pyridin-5-ol

C20H20FN3O — CID 137073000

IUPAC6-[[2-fluoro-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]methyl]pyrrolo[3,4-b]pyridin-5-ol
SMILESCN1CC=C(c2ccc(Cn3cc4ncccc4c3O)c(F)c2)CC1
InChIInChI=1S/C20H20FN3O/c1-23-9-6-14(7-10-23)15-4-5-16(18(21)11-15)12-24-13-19-17(20(24)25)3-2-8-22-19/h2-6,8,11,13,25H,7,9-10,12H2,1H3
InChIKeySLHOZTSSZRQTBM-UHFFFAOYSA-N
MW337.40 g/mol
LogP3.65
Rot. Bonds3

About 6-[[2-fluoro-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]methyl]pyrrolo[3,4-b]pyridin-5-ol

6-[[2-fluoro-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]methyl]pyrrolo[3,4-b]pyridin-5-ol (PubChem CID 137073000) has the molecular formula C20H20FN3O and a molecular weight of 337.40 g/mol. Its IUPAC name is 6-[[2-fluoro-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]methyl]pyrrolo[3,4-b]pyridin-5-ol.

Molecular Properties

Compound Name6-[[2-fluoro-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]methyl]pyrrolo[3,4-b]pyridin-5-ol
PubChem CID137073000
Molecular FormulaC20H20FN3O
Molecular Weight337.40 g/mol
Exact Mass337.16
IUPAC Name6-[[2-fluoro-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]methyl]pyrrolo[3,4-b]pyridin-5-ol
SMILESCN1CC=C(c2ccc(Cn3cc4ncccc4c3O)c(F)c2)CC1
InChIInChI=1S/C20H20FN3O/c1-23-9-6-14(7-10-23)15-4-5-16(18(21)11-15)12-24-13-19-17(20(24)25)3-2-8-22-19/h2-6,8,11,13,25H,7,9-10,12H2,1H3
InChIKeySLHOZTSSZRQTBM-UHFFFAOYSA-N
XLogP3.65
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[[2-fluoro-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]methyl]pyrrolo[3,4-b]pyridin-5-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[[2-fluoro-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]methyl]pyrrolo[3,4-b]pyridin-5-ol?
The IUPAC name of 6-[[2-fluoro-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]methyl]pyrrolo[3,4-b]pyridin-5-ol (CID 137073000) is 6-[[2-fluoro-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]methyl]pyrrolo[3,4-b]pyridin-5-ol.
What is the SMILES notation for 6-[[2-fluoro-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]methyl]pyrrolo[3,4-b]pyridin-5-ol?
The canonical SMILES for 6-[[2-fluoro-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]methyl]pyrrolo[3,4-b]pyridin-5-ol is CN1CC=C(c2ccc(Cn3cc4ncccc4c3O)c(F)c2)CC1.
What is the InChIKey of 6-[[2-fluoro-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]methyl]pyrrolo[3,4-b]pyridin-5-ol?
The InChIKey is SLHOZTSSZRQTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O/c1-23-9-6-14(7-10-23)15-4-5-16(18(21)11-15)12-24-13-19-17(20(24)25)3-2-8-22-19/h2-6,8,11,13,25H,7,9-10,12H2,1H3.
What are the key properties of 6-[[2-fluoro-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]methyl]pyrrolo[3,4-b]pyridin-5-ol?
6-[[2-fluoro-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]methyl]pyrrolo[3,4-b]pyridin-5-ol has a molecular weight of 337.40 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-fluoro-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]methyl]pyrrolo[3,4-b]pyridin-5-ol is sourced from PubChem (CID 137073000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).