4-[[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-2,6-dimethylmorpholine

C20H22FN3O — CID 110223547

IUPAC4-[[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-2,6-dimethylmorpholine
SMILESCC1CN(Cc2c(-c3ccc(F)cc3)[nH]c3ncccc23)CC(C)O1
InChIInChI=1S/C20H22FN3O/c1-13-10-24(11-14(2)25-13)12-18-17-4-3-9-22-20(17)23-19(18)15-5-7-16(21)8-6-15/h3-9,13-14H,10-12H2,1-2H3,(H,22,23)
InChIKeyFATRCRARRUHVES-UHFFFAOYSA-N
MW339.41 g/mol
LogP3.98
Rot. Bonds3

About 4-[[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-2,6-dimethylmorpholine

4-[[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-2,6-dimethylmorpholine (PubChem CID 110223547) has the molecular formula C20H22FN3O and a molecular weight of 339.41 g/mol. Its IUPAC name is 4-[[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-[[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-2,6-dimethylmorpholine
PubChem CID110223547
Molecular FormulaC20H22FN3O
Molecular Weight339.41 g/mol
Exact Mass339.17
IUPAC Name4-[[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-2,6-dimethylmorpholine
SMILESCC1CN(Cc2c(-c3ccc(F)cc3)[nH]c3ncccc23)CC(C)O1
InChIInChI=1S/C20H22FN3O/c1-13-10-24(11-14(2)25-13)12-18-17-4-3-9-22-20(17)23-19(18)15-5-7-16(21)8-6-15/h3-9,13-14H,10-12H2,1-2H3,(H,22,23)
InChIKeyFATRCRARRUHVES-UHFFFAOYSA-N
XLogP3.98
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.41
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-2,6-dimethylmorpholine 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 4-[[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-2,6-dimethylmorpholine?
The IUPAC name of 4-[[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-2,6-dimethylmorpholine (CID 110223547) is 4-[[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-2,6-dimethylmorpholine.
What is the SMILES notation for 4-[[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-2,6-dimethylmorpholine?
The canonical SMILES for 4-[[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-2,6-dimethylmorpholine is CC1CN(Cc2c(-c3ccc(F)cc3)[nH]c3ncccc23)CC(C)O1.
What is the InChIKey of 4-[[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-2,6-dimethylmorpholine?
The InChIKey is FATRCRARRUHVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O/c1-13-10-24(11-14(2)25-13)12-18-17-4-3-9-22-20(17)23-19(18)15-5-7-16(21)8-6-15/h3-9,13-14H,10-12H2,1-2H3,(H,22,23).
What are the key properties of 4-[[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-2,6-dimethylmorpholine?
4-[[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-2,6-dimethylmorpholine has a molecular weight of 339.41 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 110223547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).