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

C21H18FN3O2 — CID 58086637

IUPAC3-[[2-fluoro-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1cc(Cc2c[nH]c3ncccc23)c(F)cc1OCc1cccnc1
InChIInChI=1S/C21H18FN3O2/c1-26-19-9-15(8-16-12-25-21-17(16)5-3-7-24-21)18(22)10-20(19)27-13-14-4-2-6-23-11-14/h2-7,9-12H,8,13H2,1H3,(H,24,25)
InChIKeyLMQFUEXDXNORQV-UHFFFAOYSA-N
MW363.39 g/mol
LogP4.28
Rot. Bonds6

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

3-[[2-fluoro-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 58086637) has the molecular formula C21H18FN3O2 and a molecular weight of 363.39 g/mol. Its IUPAC name is 3-[[2-fluoro-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-[[2-fluoro-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID58086637
Molecular FormulaC21H18FN3O2
Molecular Weight363.39 g/mol
Exact Mass363.14
IUPAC Name3-[[2-fluoro-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1cc(Cc2c[nH]c3ncccc23)c(F)cc1OCc1cccnc1
InChIInChI=1S/C21H18FN3O2/c1-26-19-9-15(8-16-12-25-21-17(16)5-3-7-24-21)18(22)10-20(19)27-13-14-4-2-6-23-11-14/h2-7,9-12H,8,13H2,1H3,(H,24,25)
InChIKeyLMQFUEXDXNORQV-UHFFFAOYSA-N
XLogP4.28
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-fluoro-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-[[2-fluoro-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine (CID 58086637) is 3-[[2-fluoro-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-[[2-fluoro-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-[[2-fluoro-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine is COc1cc(Cc2c[nH]c3ncccc23)c(F)cc1OCc1cccnc1.
What is the InChIKey of 3-[[2-fluoro-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is LMQFUEXDXNORQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O2/c1-26-19-9-15(8-16-12-25-21-17(16)5-3-7-24-21)18(22)10-20(19)27-13-14-4-2-6-23-11-14/h2-7,9-12H,8,13H2,1H3,(H,24,25).
What are the key properties of 3-[[2-fluoro-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine?
3-[[2-fluoro-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 363.39 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-fluoro-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 58086637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).