2-[1-[4-(5-methoxy-1H-indol-3-yl)butyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indol-5-ol

C26H29N3O2 — CID 67713328

IUPAC2-[1-[4-(5-methoxy-1H-indol-3-yl)butyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indol-5-ol
SMILESCOc1ccc2[nH]cc(CCCCN3CC=C(c4cc5cc(O)ccc5[nH]4)CC3)c2c1
InChIInChI=1S/C26H29N3O2/c1-31-22-6-8-25-23(16-22)19(17-27-25)4-2-3-11-29-12-9-18(10-13-29)26-15-20-14-21(30)5-7-24(20)28-26/h5-9,14-17,27-28,30H,2-4,10-13H2,1H3
InChIKeyWHTUEHLHMMSIMV-UHFFFAOYSA-N
MW415.54 g/mol
LogP5.48
Rot. Bonds7

About 2-[1-[4-(5-methoxy-1H-indol-3-yl)butyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indol-5-ol

2-[1-[4-(5-methoxy-1H-indol-3-yl)butyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indol-5-ol (PubChem CID 67713328) has the molecular formula C26H29N3O2 and a molecular weight of 415.54 g/mol. Its IUPAC name is 2-[1-[4-(5-methoxy-1H-indol-3-yl)butyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indol-5-ol.

Molecular Properties

Compound Name2-[1-[4-(5-methoxy-1H-indol-3-yl)butyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indol-5-ol
PubChem CID67713328
Molecular FormulaC26H29N3O2
Molecular Weight415.54 g/mol
Exact Mass415.23
IUPAC Name2-[1-[4-(5-methoxy-1H-indol-3-yl)butyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indol-5-ol
SMILESCOc1ccc2[nH]cc(CCCCN3CC=C(c4cc5cc(O)ccc5[nH]4)CC3)c2c1
InChIInChI=1S/C26H29N3O2/c1-31-22-6-8-25-23(16-22)19(17-27-25)4-2-3-11-29-12-9-18(10-13-29)26-15-20-14-21(30)5-7-24(20)28-26/h5-9,14-17,27-28,30H,2-4,10-13H2,1H3
InChIKeyWHTUEHLHMMSIMV-UHFFFAOYSA-N
XLogP5.48
TPSA64.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.54
LogP ≤ 55.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(3,6-dihydro-2H-pyridin-1-yl)butyl]-5-methoxy-1H-indole
CID 22364696
3-[1-[3-(5-methoxy-1H-indol-3-yl)propyl]piperidin-4-yl]-1H-indol-5-ol
CID 21469424
3-[4-[4-(2-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indole-5-carboxylic acid
CID 67883250
3-[3-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]propyl]-5-methoxy-1H-indole
CID 72734844
4-(5-methoxy-1H-indol-3-yl)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one
CID 10384807
3-[3-[4-[3-(5-bromo-1H-indol-3-yl)propyl]piperazin-1-yl]propyl]-5-methoxy-1H-indole
CID 72735021
[3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indol-5-yl] N-(2-hydroxyethyl)carbamate
CID 70364403
3-[4-[4-(5-carbamoyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indole-5-carboxamide
CID 21469442
5-methoxy-3-[1-(2-methoxyethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
CID 71939904
5-fluoro-3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indole;hydrochloride
CID 10475148
3-[4-[4-(4-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole-5-carboxylic acid
CID 19936429
3-[4-[4-(4-methoxyphenyl)piperazin-1-yl]butyl]-1H-indol-5-amine
CID 19936462

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(5-methoxy-1H-indol-3-yl)butyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indol-5-ol?
The IUPAC name of 2-[1-[4-(5-methoxy-1H-indol-3-yl)butyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indol-5-ol (CID 67713328) is 2-[1-[4-(5-methoxy-1H-indol-3-yl)butyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indol-5-ol.
What is the SMILES notation for 2-[1-[4-(5-methoxy-1H-indol-3-yl)butyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indol-5-ol?
The canonical SMILES for 2-[1-[4-(5-methoxy-1H-indol-3-yl)butyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indol-5-ol is COc1ccc2[nH]cc(CCCCN3CC=C(c4cc5cc(O)ccc5[nH]4)CC3)c2c1.
What is the InChIKey of 2-[1-[4-(5-methoxy-1H-indol-3-yl)butyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indol-5-ol?
The InChIKey is WHTUEHLHMMSIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O2/c1-31-22-6-8-25-23(16-22)19(17-27-25)4-2-3-11-29-12-9-18(10-13-29)26-15-20-14-21(30)5-7-24(20)28-26/h5-9,14-17,27-28,30H,2-4,10-13H2,1H3.
What are the key properties of 2-[1-[4-(5-methoxy-1H-indol-3-yl)butyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indol-5-ol?
2-[1-[4-(5-methoxy-1H-indol-3-yl)butyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indol-5-ol has a molecular weight of 415.54 g/mol, XLogP of 5.48, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(5-methoxy-1H-indol-3-yl)butyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indol-5-ol is sourced from PubChem (CID 67713328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).