4-[3-(1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzaldehyde

C22H15N3O — CID 154700345

IUPAC4-[3-(1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzaldehyde
SMILESO=Cc1ccc(-c2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3c2)cc1
InChIInChI=1S/C22H15N3O/c26-13-14-1-3-15(4-2-14)18-10-19-20(12-25-22(19)24-11-18)16-5-6-21-17(9-16)7-8-23-21/h1-13,23H,(H,24,25)
InChIKeyIUURIKDWERVVLB-UHFFFAOYSA-N
MW337.38 g/mol
LogP5.19
Rot. Bonds3

About 4-[3-(1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzaldehyde

4-[3-(1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzaldehyde (PubChem CID 154700345) has the molecular formula C22H15N3O and a molecular weight of 337.38 g/mol. Its IUPAC name is 4-[3-(1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzaldehyde.

Molecular Properties

Compound Name4-[3-(1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzaldehyde
PubChem CID154700345
Molecular FormulaC22H15N3O
Molecular Weight337.38 g/mol
Exact Mass337.12
IUPAC Name4-[3-(1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzaldehyde
SMILESO=Cc1ccc(-c2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3c2)cc1
InChIInChI=1S/C22H15N3O/c26-13-14-1-3-15(4-2-14)18-10-19-20(12-25-22(19)24-11-18)16-5-6-21-17(9-16)7-8-23-21/h1-13,23H,(H,24,25)
InChIKeyIUURIKDWERVVLB-UHFFFAOYSA-N
XLogP5.19
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.38
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzaldehyde?
The IUPAC name of 4-[3-(1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzaldehyde (CID 154700345) is 4-[3-(1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzaldehyde.
What is the SMILES notation for 4-[3-(1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzaldehyde?
The canonical SMILES for 4-[3-(1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzaldehyde is O=Cc1ccc(-c2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3c2)cc1.
What is the InChIKey of 4-[3-(1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzaldehyde?
The InChIKey is IUURIKDWERVVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N3O/c26-13-14-1-3-15(4-2-14)18-10-19-20(12-25-22(19)24-11-18)16-5-6-21-17(9-16)7-8-23-21/h1-13,23H,(H,24,25).
What are the key properties of 4-[3-(1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzaldehyde?
4-[3-(1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzaldehyde has a molecular weight of 337.38 g/mol, XLogP of 5.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzaldehyde is sourced from PubChem (CID 154700345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).