(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-[4-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]piperazin-1-yl]methanone

C24H28N6O2S — CID 55647071

IUPAC(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-[4-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]piperazin-1-yl]methanone
SMILESCc1ccc(-c2noc(CCCN3CCN(C(=O)c4cc5c(C)nn(C)c5s4)CC3)n2)cc1
InChIInChI=1S/C24H28N6O2S/c1-16-6-8-18(9-7-16)22-25-21(32-27-22)5-4-10-29-11-13-30(14-12-29)23(31)20-15-19-17(2)26-28(3)24(19)33-20/h6-9,15H,4-5,10-14H2,1-3H3
InChIKeyHOTMLLBMTOHOGP-UHFFFAOYSA-N
MW464.60 g/mol
LogP3.69
Rot. Bonds6

About (1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-[4-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]piperazin-1-yl]methanone

(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-[4-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]piperazin-1-yl]methanone (PubChem CID 55647071) has the molecular formula C24H28N6O2S and a molecular weight of 464.60 g/mol. Its IUPAC name is (1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-[4-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-[4-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]piperazin-1-yl]methanone
PubChem CID55647071
Molecular FormulaC24H28N6O2S
Molecular Weight464.60 g/mol
Exact Mass464.20
IUPAC Name(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-[4-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]piperazin-1-yl]methanone
SMILESCc1ccc(-c2noc(CCCN3CCN(C(=O)c4cc5c(C)nn(C)c5s4)CC3)n2)cc1
InChIInChI=1S/C24H28N6O2S/c1-16-6-8-18(9-7-16)22-25-21(32-27-22)5-4-10-29-11-13-30(14-12-29)23(31)20-15-19-17(2)26-28(3)24(19)33-20/h6-9,15H,4-5,10-14H2,1-3H3
InChIKeyHOTMLLBMTOHOGP-UHFFFAOYSA-N
XLogP3.69
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.60
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-[4-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

[4-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]piperazin-1-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone
CID 46453893
1-[4-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]piperazin-1-yl]butan-1-one
CID 55621672
[4-(diethylaminomethyl)phenyl]-[4-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]piperazin-1-yl]methanone
CID 55652719
[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
3-methyl-1-[4-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]piperazin-1-yl]butan-1-one
CID 55652242
2-(methylamino)-1-[4-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]piperazin-1-yl]ethanone
CID 120703681
(4-methylphenyl)-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]methanone
CID 51263051
1-(4-methylphenyl)-4-[4-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]piperazin-1-yl]butane-1,4-dione
CID 55647099
(3-ethoxy-4-propoxyphenyl)-[4-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]piperazin-1-yl]methanone
CID 55652552
(6-methoxy-1H-indol-2-yl)-[4-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]piperazin-1-yl]methanone
CID 46446148
4-methoxy-3-[4-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]piperazine-1-carbonyl]benzenesulfonamide
CID 38443794
2-(3,4-dimethoxyphenyl)-1-[4-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]piperazin-1-yl]ethanone
CID 38443949

Frequently Asked Questions

What is the IUPAC name of (1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-[4-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]piperazin-1-yl]methanone?
The IUPAC name of (1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-[4-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]piperazin-1-yl]methanone (CID 55647071) is (1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-[4-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]piperazin-1-yl]methanone.
What is the SMILES notation for (1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-[4-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]piperazin-1-yl]methanone?
The canonical SMILES for (1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-[4-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]piperazin-1-yl]methanone is Cc1ccc(-c2noc(CCCN3CCN(C(=O)c4cc5c(C)nn(C)c5s4)CC3)n2)cc1.
What is the InChIKey of (1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-[4-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]piperazin-1-yl]methanone?
The InChIKey is HOTMLLBMTOHOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O2S/c1-16-6-8-18(9-7-16)22-25-21(32-27-22)5-4-10-29-11-13-30(14-12-29)23(31)20-15-19-17(2)26-28(3)24(19)33-20/h6-9,15H,4-5,10-14H2,1-3H3.
What are the key properties of (1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-[4-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]piperazin-1-yl]methanone?
(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-[4-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]piperazin-1-yl]methanone has a molecular weight of 464.60 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-[4-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]piperazin-1-yl]methanone is sourced from PubChem (CID 55647071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).