7-(4-fluorophenyl)-6-methylidene-N-(3-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

C27H20FN3O2 — CID 89134326

IUPAC7-(4-fluorophenyl)-6-methylidene-N-(3-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESC=C1C=Cc2cc(C(=O)Nc3cccc(Oc4ccccc4)c3)[nH]c2N1c1ccc(F)cc1
InChIInChI=1S/C27H20FN3O2/c1-18-10-11-19-16-25(30-26(19)31(18)22-14-12-20(28)13-15-22)27(32)29-21-6-5-9-24(17-21)33-23-7-3-2-4-8-23/h2-17,30H,1H2,(H,29,32)
InChIKeyKWZZJBZAYUQDQX-UHFFFAOYSA-N
MW437.47 g/mol
LogP6.88
Rot. Bonds5

About 7-(4-fluorophenyl)-6-methylidene-N-(3-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

7-(4-fluorophenyl)-6-methylidene-N-(3-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (PubChem CID 89134326) has the molecular formula C27H20FN3O2 and a molecular weight of 437.47 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-6-methylidene-N-(3-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name7-(4-fluorophenyl)-6-methylidene-N-(3-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
PubChem CID89134326
Molecular FormulaC27H20FN3O2
Molecular Weight437.47 g/mol
Exact Mass437.15
IUPAC Name7-(4-fluorophenyl)-6-methylidene-N-(3-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESC=C1C=Cc2cc(C(=O)Nc3cccc(Oc4ccccc4)c3)[nH]c2N1c1ccc(F)cc1
InChIInChI=1S/C27H20FN3O2/c1-18-10-11-19-16-25(30-26(19)31(18)22-14-12-20(28)13-15-22)27(32)29-21-6-5-9-24(17-21)33-23-7-3-2-4-8-23/h2-17,30H,1H2,(H,29,32)
InChIKeyKWZZJBZAYUQDQX-UHFFFAOYSA-N
XLogP6.88
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.47
LogP ≤ 56.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenyl)-6-methylidene-N-(3-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 7-(4-fluorophenyl)-6-methylidene-N-(3-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (CID 89134326) is 7-(4-fluorophenyl)-6-methylidene-N-(3-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 7-(4-fluorophenyl)-6-methylidene-N-(3-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 7-(4-fluorophenyl)-6-methylidene-N-(3-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is C=C1C=Cc2cc(C(=O)Nc3cccc(Oc4ccccc4)c3)[nH]c2N1c1ccc(F)cc1.
What is the InChIKey of 7-(4-fluorophenyl)-6-methylidene-N-(3-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The InChIKey is KWZZJBZAYUQDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20FN3O2/c1-18-10-11-19-16-25(30-26(19)31(18)22-14-12-20(28)13-15-22)27(32)29-21-6-5-9-24(17-21)33-23-7-3-2-4-8-23/h2-17,30H,1H2,(H,29,32).
What are the key properties of 7-(4-fluorophenyl)-6-methylidene-N-(3-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
7-(4-fluorophenyl)-6-methylidene-N-(3-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide has a molecular weight of 437.47 g/mol, XLogP of 6.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)-6-methylidene-N-(3-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 89134326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).