1-[3-[[2-(1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-5-yl]oxy]propyl]piperidin-4-ol

C21H24N4O2S — CID 135489184

IUPAC1-[3-[[2-(1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-5-yl]oxy]propyl]piperidin-4-ol
SMILESOC1CCN(CCCOc2ccc3[nH]c(-c4n[nH]c5ccsc45)cc3c2)CC1
InChIInChI=1S/C21H24N4O2S/c26-15-4-8-25(9-5-15)7-1-10-27-16-2-3-17-14(12-16)13-19(22-17)20-21-18(23-24-20)6-11-28-21/h2-3,6,11-13,15,22,26H,1,4-5,7-10H2,(H,23,24)
InChIKeyWNGIWKGDQJKXIR-UHFFFAOYSA-N
MW396.52 g/mol
LogP4.00
Rot. Bonds6

About 1-[3-[[2-(1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-5-yl]oxy]propyl]piperidin-4-ol

1-[3-[[2-(1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-5-yl]oxy]propyl]piperidin-4-ol (PubChem CID 135489184) has the molecular formula C21H24N4O2S and a molecular weight of 396.52 g/mol. Its IUPAC name is 1-[3-[[2-(1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-5-yl]oxy]propyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[3-[[2-(1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-5-yl]oxy]propyl]piperidin-4-ol
PubChem CID135489184
Molecular FormulaC21H24N4O2S
Molecular Weight396.52 g/mol
Exact Mass396.16
IUPAC Name1-[3-[[2-(1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-5-yl]oxy]propyl]piperidin-4-ol
SMILESOC1CCN(CCCOc2ccc3[nH]c(-c4n[nH]c5ccsc45)cc3c2)CC1
InChIInChI=1S/C21H24N4O2S/c26-15-4-8-25(9-5-15)7-1-10-27-16-2-3-17-14(12-16)13-19(22-17)20-21-18(23-24-20)6-11-28-21/h2-3,6,11-13,15,22,26H,1,4-5,7-10H2,(H,23,24)
InChIKeyWNGIWKGDQJKXIR-UHFFFAOYSA-N
XLogP4.00
TPSA77.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[6-[3-(4-ethylpiperazin-1-yl)propoxy]-1H-indol-2-yl]-1H-thieno[3,2-c]pyrazole
CID 135431618
1-[2-(1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-5-yl]propan-1-one
CID 135499784
1-methyl-3-[6-(3-piperidin-1-ylpropoxy)-1H-indol-2-yl]thieno[3,2-c]pyrazole
CID 143017753
5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-3-[6-(3-piperidin-1-ylpropoxy)-1H-indol-2-yl]-1H-thieno[3,2-c]pyrazole
CID 135489256
4-hydroxy-3-[5-[3-(4-methylpiperazin-1-yl)propoxy]-1H-indol-2-yl]-1H-quinolin-2-one
CID 91018820
1-[3-(3-methylphenoxy)propyl]piperidin-4-ol
CID 39352208
3-[5-[3-(4-hydroxypiperidin-1-yl)propoxy]-2-pyridinyl]-4H-1,2,4-oxadiazol-5-one;hydrochloride
CID 177365440
3-[6-(4-fluoropiperidin-4-yl)-1H-indol-2-yl]-1H-thieno[3,2-c]pyrazole
CID 135545382
4-[3-[[2-(1-oxidoquinolin-1-ium-3-yl)-1H-indol-5-yl]oxy]propyl]morpholine
CID 18436974
2-[5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-indazol-3-yl]-4-thiophen-2-yl-1H-pyrrolo[2,3-c]pyridine
CID 137117043
N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-naphthalen-2-yloxyacetamide
CID 111429697
1-[3-(3,4-dimethylphenoxy)propyl]-3-methylpiperidin-4-ol
CID 114681284

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[2-(1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-5-yl]oxy]propyl]piperidin-4-ol?
The IUPAC name of 1-[3-[[2-(1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-5-yl]oxy]propyl]piperidin-4-ol (CID 135489184) is 1-[3-[[2-(1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-5-yl]oxy]propyl]piperidin-4-ol.
What is the SMILES notation for 1-[3-[[2-(1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-5-yl]oxy]propyl]piperidin-4-ol?
The canonical SMILES for 1-[3-[[2-(1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-5-yl]oxy]propyl]piperidin-4-ol is OC1CCN(CCCOc2ccc3[nH]c(-c4n[nH]c5ccsc45)cc3c2)CC1.
What is the InChIKey of 1-[3-[[2-(1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-5-yl]oxy]propyl]piperidin-4-ol?
The InChIKey is WNGIWKGDQJKXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2S/c26-15-4-8-25(9-5-15)7-1-10-27-16-2-3-17-14(12-16)13-19(22-17)20-21-18(23-24-20)6-11-28-21/h2-3,6,11-13,15,22,26H,1,4-5,7-10H2,(H,23,24).
What are the key properties of 1-[3-[[2-(1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-5-yl]oxy]propyl]piperidin-4-ol?
1-[3-[[2-(1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-5-yl]oxy]propyl]piperidin-4-ol has a molecular weight of 396.52 g/mol, XLogP of 4.00, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[2-(1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-5-yl]oxy]propyl]piperidin-4-ol is sourced from PubChem (CID 135489184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).