HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
Huagongshe Open Program：[email protected]AI access: llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.7.8
  1. Home
  2. /Compound

1-[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-(1H-indol-4-yloxy)propan-2-ol

HCID 21268352
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
OC(COc1cccc2[nH]ccc12)CN1CC=C(c2c[nH]c3ccc(F)cc23)CC1
InChIKey
AXNOHMGIJYRUGB-UHFFFAOYSA-N
Molecular formula
C24H24FN3O2
Average molar mass
405.5 g/mol

Names & identifiers

Preferred name
1-[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-(1H-indol-4-yloxy)propan-2-ol
IUPAC
1-[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-3-(1H-indol-4-yloxy)propan-2-ol

Names & synonyms

SCHEMBL8695915

Database identifiers

PubChem CID
21268352

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
64.3 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
30
Formal charge
0
Complexity
617

Related reactions

1 records
New reaction record
HRID 306019 reaction equation
HRID 306019As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes