3-(3-fluoro-5-phenylmethoxyphenyl)-5-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine

C27H21FN2O2 — CID 72943693

IUPAC3-(3-fluoro-5-phenylmethoxyphenyl)-5-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1ccccc1-c1cnc2[nH]cc(-c3cc(F)cc(OCc4ccccc4)c3)c2c1
InChIInChI=1S/C27H21FN2O2/c1-31-26-10-6-5-9-23(26)20-13-24-25(16-30-27(24)29-15-20)19-11-21(28)14-22(12-19)32-17-18-7-3-2-4-8-18/h2-16H,17H2,1H3,(H,29,30)
InChIKeyBUAPJDWZFKJTCX-UHFFFAOYSA-N
MW424.48 g/mol
LogP6.62
Rot. Bonds6

About 3-(3-fluoro-5-phenylmethoxyphenyl)-5-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine

3-(3-fluoro-5-phenylmethoxyphenyl)-5-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 72943693) has the molecular formula C27H21FN2O2 and a molecular weight of 424.48 g/mol. Its IUPAC name is 3-(3-fluoro-5-phenylmethoxyphenyl)-5-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-(3-fluoro-5-phenylmethoxyphenyl)-5-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID72943693
Molecular FormulaC27H21FN2O2
Molecular Weight424.48 g/mol
Exact Mass424.16
IUPAC Name3-(3-fluoro-5-phenylmethoxyphenyl)-5-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1ccccc1-c1cnc2[nH]cc(-c3cc(F)cc(OCc4ccccc4)c3)c2c1
InChIInChI=1S/C27H21FN2O2/c1-31-26-10-6-5-9-23(26)20-13-24-25(16-30-27(24)29-15-20)19-11-21(28)14-22(12-19)32-17-18-7-3-2-4-8-18/h2-16H,17H2,1H3,(H,29,30)
InChIKeyBUAPJDWZFKJTCX-UHFFFAOYSA-N
XLogP6.62
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.48
LogP ≤ 56.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-5-phenylmethoxyphenyl)-5-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-(3-fluoro-5-phenylmethoxyphenyl)-5-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine (CID 72943693) is 3-(3-fluoro-5-phenylmethoxyphenyl)-5-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-(3-fluoro-5-phenylmethoxyphenyl)-5-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-(3-fluoro-5-phenylmethoxyphenyl)-5-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine is COc1ccccc1-c1cnc2[nH]cc(-c3cc(F)cc(OCc4ccccc4)c3)c2c1.
What is the InChIKey of 3-(3-fluoro-5-phenylmethoxyphenyl)-5-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is BUAPJDWZFKJTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21FN2O2/c1-31-26-10-6-5-9-23(26)20-13-24-25(16-30-27(24)29-15-20)19-11-21(28)14-22(12-19)32-17-18-7-3-2-4-8-18/h2-16H,17H2,1H3,(H,29,30).
What are the key properties of 3-(3-fluoro-5-phenylmethoxyphenyl)-5-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine?
3-(3-fluoro-5-phenylmethoxyphenyl)-5-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 424.48 g/mol, XLogP of 6.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-5-phenylmethoxyphenyl)-5-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 72943693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).