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

C22H20FN3O2 — CID 58086173

IUPAC3-[[2-fluoro-5-methoxy-4-[(3-methyl-4-pyridinyl)methoxy]phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine
SMILESCC1=C(C=CN=C1)COC2=C(C=C(C(=C2)F)CC3=CNC4=C3C=CC=N4)OC
InChIInChI=1S/C22H20FN3O2/c1-14-11-24-7-5-15(14)13-28-21-10-19(23)16(9-20(21)27-2)8-17-12-26-22-18(17)4-3-6-25-22/h3-7,9-12H,8,13H2,1-2H3,(H,25,26)
InChIKeyUYPXAERUTXMJRM-UHFFFAOYSA-N
MW377.40 g/mol
LogP4.10
Rot. Bonds6

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

3-[[2-fluoro-5-methoxy-4-[(3-methyl-4-pyridinyl)methoxy]phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 58086173) has the molecular formula C22H20FN3O2 and a molecular weight of 377.40 g/mol. Its IUPAC name is 3-[[2-fluoro-5-methoxy-4-[(3-methyl-4-pyridinyl)methoxy]phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-[[2-fluoro-5-methoxy-4-[(3-methyl-4-pyridinyl)methoxy]phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID58086173
Molecular FormulaC22H20FN3O2
Molecular Weight377.40 g/mol
Exact Mass377.15
IUPAC Name3-[[2-fluoro-5-methoxy-4-[(3-methyl-4-pyridinyl)methoxy]phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine
SMILESCC1=C(C=CN=C1)COC2=C(C=C(C(=C2)F)CC3=CNC4=C3C=CC=N4)OC
InChIInChI=1S/C22H20FN3O2/c1-14-11-24-7-5-15(14)13-28-21-10-19(23)16(9-20(21)27-2)8-17-12-26-22-18(17)4-3-6-25-22/h3-7,9-12H,8,13H2,1-2H3,(H,25,26)
InChIKeyUYPXAERUTXMJRM-UHFFFAOYSA-N
XLogP4.10
TPSA60.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity496

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-fluoro-5-methoxy-4-[(3-methyl-4-pyridinyl)methoxy]phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-[[2-fluoro-5-methoxy-4-[(3-methyl-4-pyridinyl)methoxy]phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine (CID 58086173) is 3-[[2-fluoro-5-methoxy-4-[(3-methyl-4-pyridinyl)methoxy]phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-[[2-fluoro-5-methoxy-4-[(3-methyl-4-pyridinyl)methoxy]phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-[[2-fluoro-5-methoxy-4-[(3-methyl-4-pyridinyl)methoxy]phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine is CC1=C(C=CN=C1)COC2=C(C=C(C(=C2)F)CC3=CNC4=C3C=CC=N4)OC.
What is the InChIKey of 3-[[2-fluoro-5-methoxy-4-[(3-methyl-4-pyridinyl)methoxy]phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is UYPXAERUTXMJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O2/c1-14-11-24-7-5-15(14)13-28-21-10-19(23)16(9-20(21)27-2)8-17-12-26-22-18(17)4-3-6-25-22/h3-7,9-12H,8,13H2,1-2H3,(H,25,26).
What are the key properties of 3-[[2-fluoro-5-methoxy-4-[(3-methyl-4-pyridinyl)methoxy]phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine?
3-[[2-fluoro-5-methoxy-4-[(3-methyl-4-pyridinyl)methoxy]phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 377.40 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-fluoro-5-methoxy-4-[(3-methyl-4-pyridinyl)methoxy]phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 58086173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).