4,5,6,7-tetrahydro-1H-indazol-3-yl-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methanone

C21H26N6O2S — CID 112842093

IUPAC4,5,6,7-tetrahydro-1H-indazol-3-yl-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methanone
SMILESO=C(c1n[nH]c2c1CCCC2)N1CCN(CCCc2nc(-c3cccs3)no2)CC1
InChIInChI=1S/C21H26N6O2S/c28-21(19-15-5-1-2-6-16(15)23-24-19)27-12-10-26(11-13-27)9-3-8-18-22-20(25-29-18)17-7-4-14-30-17/h4,7,14H,1-3,5-6,8-13H2,(H,23,24)
InChIKeyKOSYLGXVGOLMBU-UHFFFAOYSA-N
MW426.55 g/mol
LogP2.79
Rot. Bonds6

About 4,5,6,7-tetrahydro-1H-indazol-3-yl-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methanone

4,5,6,7-tetrahydro-1H-indazol-3-yl-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methanone (PubChem CID 112842093) has the molecular formula C21H26N6O2S and a molecular weight of 426.55 g/mol. Its IUPAC name is 4,5,6,7-tetrahydro-1H-indazol-3-yl-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name4,5,6,7-tetrahydro-1H-indazol-3-yl-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methanone
PubChem CID112842093
Molecular FormulaC21H26N6O2S
Molecular Weight426.55 g/mol
Exact Mass426.18
IUPAC Name4,5,6,7-tetrahydro-1H-indazol-3-yl-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methanone
SMILESO=C(c1n[nH]c2c1CCCC2)N1CCN(CCCc2nc(-c3cccs3)no2)CC1
InChIInChI=1S/C21H26N6O2S/c28-21(19-15-5-1-2-6-16(15)23-24-19)27-12-10-26(11-13-27)9-3-8-18-22-20(25-29-18)17-7-4-14-30-17/h4,7,14H,1-3,5-6,8-13H2,(H,23,24)
InChIKeyKOSYLGXVGOLMBU-UHFFFAOYSA-N
XLogP2.79
TPSA91.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.55
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4,5,6,7-tetrahydro-1H-indazol-3-yl-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

(4-methylphenyl)-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methanone
CID 51263051
(4-methylsulfinylphenyl)-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methanone
CID 78826694
(5-cyclopropyl-1,2-oxazol-3-yl)-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methanone
CID 78835620
(2,5-dichlorothiophen-3-yl)-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methanone
CID 55446847
3-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazine-1-carbonyl]-1H-quinolin-2-one
CID 55511601
3-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazine-1-carbonyl]-2H-isoquinolin-1-one
CID 78826700
4-methyl-1-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]pentan-1-one
CID 55446960
(3-propoxyphenyl)-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methanone
CID 55772807
[4-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]piperazin-1-yl]-(5-thiophen-2-yl-1H-pyrazol-3-yl)methanone
CID 55852247
1H-indazol-3-yl-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 24610035
N-[3-oxo-3-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]propyl]thiophene-2-carboxamide
CID 55447156
6,7,8,9-tetrahydro-5H-carbazol-1-yl-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 34989521

Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetrahydro-1H-indazol-3-yl-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methanone?
The IUPAC name of 4,5,6,7-tetrahydro-1H-indazol-3-yl-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methanone (CID 112842093) is 4,5,6,7-tetrahydro-1H-indazol-3-yl-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methanone.
What is the SMILES notation for 4,5,6,7-tetrahydro-1H-indazol-3-yl-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methanone?
The canonical SMILES for 4,5,6,7-tetrahydro-1H-indazol-3-yl-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methanone is O=C(c1n[nH]c2c1CCCC2)N1CCN(CCCc2nc(-c3cccs3)no2)CC1.
What is the InChIKey of 4,5,6,7-tetrahydro-1H-indazol-3-yl-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methanone?
The InChIKey is KOSYLGXVGOLMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O2S/c28-21(19-15-5-1-2-6-16(15)23-24-19)27-12-10-26(11-13-27)9-3-8-18-22-20(25-29-18)17-7-4-14-30-17/h4,7,14H,1-3,5-6,8-13H2,(H,23,24).
What are the key properties of 4,5,6,7-tetrahydro-1H-indazol-3-yl-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methanone?
4,5,6,7-tetrahydro-1H-indazol-3-yl-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methanone has a molecular weight of 426.55 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrahydro-1H-indazol-3-yl-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methanone is sourced from PubChem (CID 112842093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).