2-(1-benzofuran-2-yl)-1-benzylpyrrolo[2,3-c]pyridin-5-amine

C22H17N3O — CID 71138501

IUPAC2-(1-benzofuran-2-yl)-1-benzylpyrrolo[2,3-c]pyridin-5-amine
SMILESNc1cc2cc(-c3cc4ccccc4o3)n(Cc3ccccc3)c2cn1
InChIInChI=1S/C22H17N3O/c23-22-12-17-10-18(21-11-16-8-4-5-9-20(16)26-21)25(19(17)13-24-22)14-15-6-2-1-3-7-15/h1-13H,14H2,(H2,23,24)
InChIKeyQIGXFDWKWFTRQP-UHFFFAOYSA-N
MW339.40 g/mol
LogP5.08
Rot. Bonds3

About 2-(1-benzofuran-2-yl)-1-benzylpyrrolo[2,3-c]pyridin-5-amine

2-(1-benzofuran-2-yl)-1-benzylpyrrolo[2,3-c]pyridin-5-amine (PubChem CID 71138501) has the molecular formula C22H17N3O and a molecular weight of 339.40 g/mol. Its IUPAC name is 2-(1-benzofuran-2-yl)-1-benzylpyrrolo[2,3-c]pyridin-5-amine.

Molecular Properties

Compound Name2-(1-benzofuran-2-yl)-1-benzylpyrrolo[2,3-c]pyridin-5-amine
PubChem CID71138501
Molecular FormulaC22H17N3O
Molecular Weight339.40 g/mol
Exact Mass339.14
IUPAC Name2-(1-benzofuran-2-yl)-1-benzylpyrrolo[2,3-c]pyridin-5-amine
SMILESNc1cc2cc(-c3cc4ccccc4o3)n(Cc3ccccc3)c2cn1
InChIInChI=1S/C22H17N3O/c23-22-12-17-10-18(21-11-16-8-4-5-9-20(16)26-21)25(19(17)13-24-22)14-15-6-2-1-3-7-15/h1-13H,14H2,(H2,23,24)
InChIKeyQIGXFDWKWFTRQP-UHFFFAOYSA-N
XLogP5.08
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.40
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-yl)-1-benzylpyrrolo[2,3-c]pyridin-5-amine?
The IUPAC name of 2-(1-benzofuran-2-yl)-1-benzylpyrrolo[2,3-c]pyridin-5-amine (CID 71138501) is 2-(1-benzofuran-2-yl)-1-benzylpyrrolo[2,3-c]pyridin-5-amine.
What is the SMILES notation for 2-(1-benzofuran-2-yl)-1-benzylpyrrolo[2,3-c]pyridin-5-amine?
The canonical SMILES for 2-(1-benzofuran-2-yl)-1-benzylpyrrolo[2,3-c]pyridin-5-amine is Nc1cc2cc(-c3cc4ccccc4o3)n(Cc3ccccc3)c2cn1.
What is the InChIKey of 2-(1-benzofuran-2-yl)-1-benzylpyrrolo[2,3-c]pyridin-5-amine?
The InChIKey is QIGXFDWKWFTRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O/c23-22-12-17-10-18(21-11-16-8-4-5-9-20(16)26-21)25(19(17)13-24-22)14-15-6-2-1-3-7-15/h1-13H,14H2,(H2,23,24).
What are the key properties of 2-(1-benzofuran-2-yl)-1-benzylpyrrolo[2,3-c]pyridin-5-amine?
2-(1-benzofuran-2-yl)-1-benzylpyrrolo[2,3-c]pyridin-5-amine has a molecular weight of 339.40 g/mol, XLogP of 5.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-2-yl)-1-benzylpyrrolo[2,3-c]pyridin-5-amine is sourced from PubChem (CID 71138501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).