(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone

C23H24N6O2S — CID 55678320

IUPAC(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCN(Cc3nc(-c4cccs4)no3)CC2)c(C)n1-c1cccnc1
InChIInChI=1S/C23H24N6O2S/c1-16-13-19(17(2)29(16)18-5-3-7-24-14-18)23(30)28-10-8-27(9-11-28)15-21-25-22(26-31-21)20-6-4-12-32-20/h3-7,12-14H,8-11,15H2,1-2H3
InChIKeyWGFZJCUCWJQOSU-UHFFFAOYSA-N
MW448.55 g/mol
LogP3.56
Rot. Bonds5

About (2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone

(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone (PubChem CID 55678320) has the molecular formula C23H24N6O2S and a molecular weight of 448.55 g/mol. Its IUPAC name is (2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
PubChem CID55678320
Molecular FormulaC23H24N6O2S
Molecular Weight448.55 g/mol
Exact Mass448.17
IUPAC Name(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCN(Cc3nc(-c4cccs4)no3)CC2)c(C)n1-c1cccnc1
InChIInChI=1S/C23H24N6O2S/c1-16-13-19(17(2)29(16)18-5-3-7-24-14-18)23(30)28-10-8-27(9-11-28)15-21-25-22(26-31-21)20-6-4-12-32-20/h3-7,12-14H,8-11,15H2,1-2H3
InChIKeyWGFZJCUCWJQOSU-UHFFFAOYSA-N
XLogP3.56
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.55
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

(2-methylfuran-3-yl)-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 30126332
(2,3-dimethylphenyl)-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 32900756
(5-methyl-1-phenylpyrazol-3-yl)-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 55790775
(2-aminophenyl)-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 119946361
[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 16622658
(7-fluoroquinoxalin-5-yl)-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 112844575
(2-fluoro-4-methoxyphenyl)-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 25488892
1-(2,5-dimethylphenyl)-4-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]butane-1,4-dione
CID 30126615
2-methyl-5-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carbonyl]isoindole-1,3-dione
CID 24610075
[1-(3-chlorophenyl)pyrazol-4-yl]-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 55891170
[2-(methylamino)-5-nitrophenyl]-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 16962201
[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-(3,4,6-trimethylthieno[2,3-b]pyridin-2-yl)methanone
CID 24610069

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone?
The IUPAC name of (2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone (CID 55678320) is (2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for (2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone is Cc1cc(C(=O)N2CCN(Cc3nc(-c4cccs4)no3)CC2)c(C)n1-c1cccnc1.
What is the InChIKey of (2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone?
The InChIKey is WGFZJCUCWJQOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2S/c1-16-13-19(17(2)29(16)18-5-3-7-24-14-18)23(30)28-10-8-27(9-11-28)15-21-25-22(26-31-21)20-6-4-12-32-20/h3-7,12-14H,8-11,15H2,1-2H3.
What are the key properties of (2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone?
(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone has a molecular weight of 448.55 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 55678320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).