1-[2-(1H-indol-3-yl)ethylamino]-3-[2-(1H-thieno[3,2-c]pyrazol-3-yl)phenoxy]propan-2-ol

C24H24N4O2S — CID 21293982

IUPAC1-[2-(1H-indol-3-yl)ethylamino]-3-[2-(1H-thieno[3,2-c]pyrazol-3-yl)phenoxy]propan-2-ol
SMILESOC(CNCCc1c[nH]c2ccccc12)COc1ccccc1-c1n[nH]c2ccsc12
InChIInChI=1S/C24H24N4O2S/c29-17(14-25-11-9-16-13-26-20-7-3-1-5-18(16)20)15-30-22-8-4-2-6-19(22)23-24-21(27-28-23)10-12-31-24/h1-8,10,12-13,17,25-26,29H,9,11,14-15H2,(H,27,28)
InChIKeyJRCXEHDPJZGABK-UHFFFAOYSA-N
MW432.55 g/mol
LogP4.34
Rot. Bonds9

About 1-[2-(1H-indol-3-yl)ethylamino]-3-[2-(1H-thieno[3,2-c]pyrazol-3-yl)phenoxy]propan-2-ol

1-[2-(1H-indol-3-yl)ethylamino]-3-[2-(1H-thieno[3,2-c]pyrazol-3-yl)phenoxy]propan-2-ol (PubChem CID 21293982) has the molecular formula C24H24N4O2S and a molecular weight of 432.55 g/mol. Its IUPAC name is 1-[2-(1H-indol-3-yl)ethylamino]-3-[2-(1H-thieno[3,2-c]pyrazol-3-yl)phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-[2-(1H-indol-3-yl)ethylamino]-3-[2-(1H-thieno[3,2-c]pyrazol-3-yl)phenoxy]propan-2-ol
PubChem CID21293982
Molecular FormulaC24H24N4O2S
Molecular Weight432.55 g/mol
Exact Mass432.16
IUPAC Name1-[2-(1H-indol-3-yl)ethylamino]-3-[2-(1H-thieno[3,2-c]pyrazol-3-yl)phenoxy]propan-2-ol
SMILESOC(CNCCc1c[nH]c2ccccc12)COc1ccccc1-c1n[nH]c2ccsc12
InChIInChI=1S/C24H24N4O2S/c29-17(14-25-11-9-16-13-26-20-7-3-1-5-18(16)20)15-30-22-8-4-2-6-19(22)23-24-21(27-28-23)10-12-31-24/h1-8,10,12-13,17,25-26,29H,9,11,14-15H2,(H,27,28)
InChIKeyJRCXEHDPJZGABK-UHFFFAOYSA-N
XLogP4.34
TPSA85.96 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 54.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-[2-(1H-indol-3-yl)ethylamino]-3-(4-methylphenoxy)propan-2-ol
CID 97070492
(2S)-1-[1-(1H-indol-3-yl)propan-2-ylamino]-3-(2-methylphenoxy)propan-2-ol
CID 57123059
1-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]-3-(2-methylsulfanylphenoxy)propan-2-ol
CID 12619640
1-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]-3-[2-(trifluoromethyl)phenoxy]propan-2-ol
CID 12619630
3-[2-[[(2S)-2-hydroxy-3-(2-thiophen-2-ylphenoxy)propyl]amino]-2-methylpropyl]-1H-indole-6-carboxylic acid
CID 58847510
1-(3-fluorocarbazol-9-yl)-3-[2-(1H-indol-3-yl)ethylamino]propan-2-ol
CID 175018901
2-(1H-indol-3-yl)-N-(thiophen-2-ylmethyl)ethanamine
CID 4719995
[2-[2-[2-(1H-indol-3-yl)ethylamino]ethyl]phenyl]methanol
CID 71385029
2-[[2-(1H-indol-3-yl)ethylamino]methyl]thiophen-3-amine
CID 66387708
2-[[3-[2-[[(2S)-2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]ethyl]-1H-indol-7-yl]oxy]acetic acid
CID 139877661
(2R)-1-(3,6-dichlorocarbazol-9-yl)-3-[2-(1H-indol-3-yl)ethylamino]propan-2-ol
CID 35726366
2-(1H-indol-3-yl)-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride
CID 6473561

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-indol-3-yl)ethylamino]-3-[2-(1H-thieno[3,2-c]pyrazol-3-yl)phenoxy]propan-2-ol?
The IUPAC name of 1-[2-(1H-indol-3-yl)ethylamino]-3-[2-(1H-thieno[3,2-c]pyrazol-3-yl)phenoxy]propan-2-ol (CID 21293982) is 1-[2-(1H-indol-3-yl)ethylamino]-3-[2-(1H-thieno[3,2-c]pyrazol-3-yl)phenoxy]propan-2-ol.
What is the SMILES notation for 1-[2-(1H-indol-3-yl)ethylamino]-3-[2-(1H-thieno[3,2-c]pyrazol-3-yl)phenoxy]propan-2-ol?
The canonical SMILES for 1-[2-(1H-indol-3-yl)ethylamino]-3-[2-(1H-thieno[3,2-c]pyrazol-3-yl)phenoxy]propan-2-ol is OC(CNCCc1c[nH]c2ccccc12)COc1ccccc1-c1n[nH]c2ccsc12.
What is the InChIKey of 1-[2-(1H-indol-3-yl)ethylamino]-3-[2-(1H-thieno[3,2-c]pyrazol-3-yl)phenoxy]propan-2-ol?
The InChIKey is JRCXEHDPJZGABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2S/c29-17(14-25-11-9-16-13-26-20-7-3-1-5-18(16)20)15-30-22-8-4-2-6-19(22)23-24-21(27-28-23)10-12-31-24/h1-8,10,12-13,17,25-26,29H,9,11,14-15H2,(H,27,28).
What are the key properties of 1-[2-(1H-indol-3-yl)ethylamino]-3-[2-(1H-thieno[3,2-c]pyrazol-3-yl)phenoxy]propan-2-ol?
1-[2-(1H-indol-3-yl)ethylamino]-3-[2-(1H-thieno[3,2-c]pyrazol-3-yl)phenoxy]propan-2-ol has a molecular weight of 432.55 g/mol, XLogP of 4.34, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-indol-3-yl)ethylamino]-3-[2-(1H-thieno[3,2-c]pyrazol-3-yl)phenoxy]propan-2-ol is sourced from PubChem (CID 21293982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).