3,5-bis(1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridine

C23H16N4 — CID 46234013

IUPAC3,5-bis(1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESc1cc2cc(-c3cnc4[nH]cc(-c5ccc6[nH]ccc6c5)c4c3)ccc2[nH]1
InChIInChI=1S/C23H16N4/c1-3-21-16(5-7-24-21)9-14(1)18-11-19-20(13-27-23(19)26-12-18)15-2-4-22-17(10-15)6-8-25-22/h1-13,24-25H,(H,26,27)
InChIKeySQWISTIJOLTLFU-UHFFFAOYSA-N
MW348.41 g/mol
LogP5.86
Rot. Bonds2

About 3,5-bis(1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridine

3,5-bis(1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 46234013) has the molecular formula C23H16N4 and a molecular weight of 348.41 g/mol. Its IUPAC name is 3,5-bis(1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3,5-bis(1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID46234013
Molecular FormulaC23H16N4
Molecular Weight348.41 g/mol
Exact Mass348.14
IUPAC Name3,5-bis(1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESc1cc2cc(-c3cnc4[nH]cc(-c5ccc6[nH]ccc6c5)c4c3)ccc2[nH]1
InChIInChI=1S/C23H16N4/c1-3-21-16(5-7-24-21)9-14(1)18-11-19-20(13-27-23(19)26-12-18)15-2-4-22-17(10-15)6-8-25-22/h1-13,24-25H,(H,26,27)
InChIKeySQWISTIJOLTLFU-UHFFFAOYSA-N
XLogP5.86
TPSA60.26 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.41
LogP ≤ 55.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,5-bis(1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3,5-bis(1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridine (CID 46234013) is 3,5-bis(1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3,5-bis(1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3,5-bis(1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridine is c1cc2cc(-c3cnc4[nH]cc(-c5ccc6[nH]ccc6c5)c4c3)ccc2[nH]1.
What is the InChIKey of 3,5-bis(1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is SQWISTIJOLTLFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N4/c1-3-21-16(5-7-24-21)9-14(1)18-11-19-20(13-27-23(19)26-12-18)15-2-4-22-17(10-15)6-8-25-22/h1-13,24-25H,(H,26,27).
What are the key properties of 3,5-bis(1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridine?
3,5-bis(1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 348.41 g/mol, XLogP of 5.86, 2 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(1H-indol-5-yl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 46234013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).