3-[[2-fluoro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-1H-pyrrolo[2,3-b]pyridine

C22H18F2N2O2 — CID 58086370

IUPAC3-[[2-fluoro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1cc(Cc2c[nH]c3ncccc23)c(F)cc1OCc1ccccc1F
InChIInChI=1S/C22H18F2N2O2/c1-27-20-10-15(9-16-12-26-22-17(16)6-4-8-25-22)19(24)11-21(20)28-13-14-5-2-3-7-18(14)23/h2-8,10-12H,9,13H2,1H3,(H,25,26)
InChIKeyQJGLRFGICXUTSO-UHFFFAOYSA-N
MW380.39 g/mol
LogP5.02
Rot. Bonds6

About 3-[[2-fluoro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-1H-pyrrolo[2,3-b]pyridine

3-[[2-fluoro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 58086370) has the molecular formula C22H18F2N2O2 and a molecular weight of 380.39 g/mol. Its IUPAC name is 3-[[2-fluoro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-[[2-fluoro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID58086370
Molecular FormulaC22H18F2N2O2
Molecular Weight380.39 g/mol
Exact Mass380.13
IUPAC Name3-[[2-fluoro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1cc(Cc2c[nH]c3ncccc23)c(F)cc1OCc1ccccc1F
InChIInChI=1S/C22H18F2N2O2/c1-27-20-10-15(9-16-12-26-22-17(16)6-4-8-25-22)19(24)11-21(20)28-13-14-5-2-3-7-18(14)23/h2-8,10-12H,9,13H2,1H3,(H,25,26)
InChIKeyQJGLRFGICXUTSO-UHFFFAOYSA-N
XLogP5.02
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.39
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[[2-fluoro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-1H-pyrrolo[2,3-b]pyridine 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 3-[[2-fluoro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-[[2-fluoro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-1H-pyrrolo[2,3-b]pyridine (CID 58086370) is 3-[[2-fluoro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-[[2-fluoro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-[[2-fluoro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-1H-pyrrolo[2,3-b]pyridine is COc1cc(Cc2c[nH]c3ncccc23)c(F)cc1OCc1ccccc1F.
What is the InChIKey of 3-[[2-fluoro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is QJGLRFGICXUTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N2O2/c1-27-20-10-15(9-16-12-26-22-17(16)6-4-8-25-22)19(24)11-21(20)28-13-14-5-2-3-7-18(14)23/h2-8,10-12H,9,13H2,1H3,(H,25,26).
What are the key properties of 3-[[2-fluoro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-1H-pyrrolo[2,3-b]pyridine?
3-[[2-fluoro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 380.39 g/mol, XLogP of 5.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-fluoro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 58086370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).