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

C25H20N4O2 — CID 20784523

IUPAC2,3-bis(5-methoxy-1H-indol-3-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1ccc2[nH]cc(-c3[nH]c4ncccc4c3-c3c[nH]c4ccc(OC)cc34)c2c1
InChIInChI=1S/C25H20N4O2/c1-30-14-5-7-21-17(10-14)19(12-27-21)23-16-4-3-9-26-25(16)29-24(23)20-13-28-22-8-6-15(31-2)11-18(20)22/h3-13,27-28H,1-2H3,(H,26,29)
InChIKeyVBAFYANYKBWCJA-UHFFFAOYSA-N
MW408.46 g/mol
LogP5.88
Rot. Bonds4

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

2,3-bis(5-methoxy-1H-indol-3-yl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 20784523) has the molecular formula C25H20N4O2 and a molecular weight of 408.46 g/mol. Its IUPAC name is 2,3-bis(5-methoxy-1H-indol-3-yl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name2,3-bis(5-methoxy-1H-indol-3-yl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID20784523
Molecular FormulaC25H20N4O2
Molecular Weight408.46 g/mol
Exact Mass408.16
IUPAC Name2,3-bis(5-methoxy-1H-indol-3-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1ccc2[nH]cc(-c3[nH]c4ncccc4c3-c3c[nH]c4ccc(OC)cc34)c2c1
InChIInChI=1S/C25H20N4O2/c1-30-14-5-7-21-17(10-14)19(12-27-21)23-16-4-3-9-26-25(16)29-24(23)20-13-28-22-8-6-15(31-2)11-18(20)22/h3-13,27-28H,1-2H3,(H,26,29)
InChIKeyVBAFYANYKBWCJA-UHFFFAOYSA-N
XLogP5.88
TPSA78.72 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.46
LogP ≤ 55.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(5-methoxy-1H-indol-3-yl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 2,3-bis(5-methoxy-1H-indol-3-yl)-1H-pyrrolo[2,3-b]pyridine (CID 20784523) is 2,3-bis(5-methoxy-1H-indol-3-yl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 2,3-bis(5-methoxy-1H-indol-3-yl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 2,3-bis(5-methoxy-1H-indol-3-yl)-1H-pyrrolo[2,3-b]pyridine is COc1ccc2[nH]cc(-c3[nH]c4ncccc4c3-c3c[nH]c4ccc(OC)cc34)c2c1.
What is the InChIKey of 2,3-bis(5-methoxy-1H-indol-3-yl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is VBAFYANYKBWCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O2/c1-30-14-5-7-21-17(10-14)19(12-27-21)23-16-4-3-9-26-25(16)29-24(23)20-13-28-22-8-6-15(31-2)11-18(20)22/h3-13,27-28H,1-2H3,(H,26,29).
What are the key properties of 2,3-bis(5-methoxy-1H-indol-3-yl)-1H-pyrrolo[2,3-b]pyridine?
2,3-bis(5-methoxy-1H-indol-3-yl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 408.46 g/mol, XLogP of 5.88, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(5-methoxy-1H-indol-3-yl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 20784523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).