1-(1H-indol-3-yl)-3-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]propan-2-ol

C23H21N3O2 — CID 10172543

IUPAC1-(1H-indol-3-yl)-3-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]propan-2-ol
SMILESOC(COc1cncc(/C=C/c2ccncc2)c1)Cc1c[nH]c2ccccc12
InChIInChI=1S/C23H21N3O2/c27-20(12-19-14-26-23-4-2-1-3-22(19)23)16-28-21-11-18(13-25-15-21)6-5-17-7-9-24-10-8-17/h1-11,13-15,20,26-27H,12,16H2/b6-5+
InChIKeyWYLVFMBGPRCDQF-AATRIKPKSA-N
MW371.44 g/mol
LogP4.11
Rot. Bonds7

About 1-(1H-indol-3-yl)-3-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]propan-2-ol

1-(1H-indol-3-yl)-3-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]propan-2-ol (PubChem CID 10172543) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is 1-(1H-indol-3-yl)-3-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]propan-2-ol.

Molecular Properties

Compound Name1-(1H-indol-3-yl)-3-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]propan-2-ol
PubChem CID10172543
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC Name1-(1H-indol-3-yl)-3-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]propan-2-ol
SMILESOC(COc1cncc(/C=C/c2ccncc2)c1)Cc1c[nH]c2ccccc12
InChIInChI=1S/C23H21N3O2/c27-20(12-19-14-26-23-4-2-1-3-22(19)23)16-28-21-11-18(13-25-15-21)6-5-17-7-9-24-10-8-17/h1-11,13-15,20,26-27H,12,16H2/b6-5+
InChIKeyWYLVFMBGPRCDQF-AATRIKPKSA-N
XLogP4.11
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(1H-indol-3-yl)-3-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]propan-2-ol with MolForge

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Related Compounds

Carvedilol
CID 2585
Pindolol
CID 4828
Carazolol
CID 71739
Bucindolol
CID 51045
Indoxyl-beta-D-glucoside
CID 441564
(-)-Pindolol
CID 688095
5-Methoxytryptophol
CID 12835
5-(Benzyloxy)tryptamine
CID 89576
(-)-Carvedilol
CID 185395
Desmethylcarvedilol
CID 155763
Carvedilol, (+)-
CID 185394
Benzonitrile, 2-(2-hydroxy-3-((2-(1H-indol-3-yl)-1,1-dimethylethyl)amino)propoxy)-, hydrochloride (1:1)
CID 51044

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-3-yl)-3-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]propan-2-ol?
The IUPAC name of 1-(1H-indol-3-yl)-3-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]propan-2-ol (CID 10172543) is 1-(1H-indol-3-yl)-3-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]propan-2-ol.
What is the SMILES notation for 1-(1H-indol-3-yl)-3-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]propan-2-ol?
The canonical SMILES for 1-(1H-indol-3-yl)-3-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]propan-2-ol is OC(COc1cncc(/C=C/c2ccncc2)c1)Cc1c[nH]c2ccccc12.
What is the InChIKey of 1-(1H-indol-3-yl)-3-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]propan-2-ol?
The InChIKey is WYLVFMBGPRCDQF-AATRIKPKSA-N. The full InChI is InChI=1S/C23H21N3O2/c27-20(12-19-14-26-23-4-2-1-3-22(19)23)16-28-21-11-18(13-25-15-21)6-5-17-7-9-24-10-8-17/h1-11,13-15,20,26-27H,12,16H2/b6-5+.
What are the key properties of 1-(1H-indol-3-yl)-3-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]propan-2-ol?
1-(1H-indol-3-yl)-3-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]propan-2-ol has a molecular weight of 371.44 g/mol, XLogP of 4.11, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-3-yl)-3-[[5-[(E)-2-pyridin-4-ylethenyl]-3-pyridinyl]oxy]propan-2-ol is sourced from PubChem (CID 10172543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).