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

HCID 46236221

Notes Reactions

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Basic information

Standard SMILES: COc1cc(-c2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3c2)cc(OC)c1OC
InChIKey: UQHKXSZPEUNUDH-UHFFFAOYSA-N
Molecular formula: C24H21N3O3
Average molar mass: 399.4 g/mol

Names & identifiers

Preferred name: 5-[5-(3,4,5-trimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1H-indole
IUPAC: 3-(1H-indol-5-yl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine

Names & synonyms

CHEMBL2436980compound 8 [PMID: 24044867]BDBM356235BDBM50441572SCHEMBL722870GTPL8195SCHEMBL31061059US9814704, Example 1UQHKXSZPEUNUDH-UHFFFAOYSA-NUS9814704, Example 36BDBM354724PMID24044867C8

Show more names

5-[5-(3,4,5-trimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1H-indoleQ270768403-(1H-indol-5-yl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine

Database identifiers

PubChem CID: 46236221
ChEMBL: CHEMBL2436980
Nikkaji: J3.251.195C

Properties

Computed structural properties

XLogP: 4.6
Topological polar surface area: 72.2 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 30
Formal charge: 0
Complexity: 564

Related reactions

3 records

New reaction record

HRID 85014As productuspto-grants-2014_09

HRID 333139As productuspto-grants-2014_11

HRID 712530As productuspto-grants-2015_11

Compound notes

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