5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide

C22H23N7O5 — CID 50995164

IUPAC5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCOc1cc2c(cc1OC)C(=O)N(c1nnc(C(=O)Nc3cnccc3N3CCNCC3)o1)C2
InChIInChI=1S/C22H23N7O5/c1-32-17-9-13-12-29(21(31)14(13)10-18(17)33-2)22-27-26-20(34-22)19(30)25-15-11-24-4-3-16(15)28-7-5-23-6-8-28/h3-4,9-11,23H,5-8,12H2,1-2H3,(H,25,30)
InChIKeyHELMNWVQIUORIU-UHFFFAOYSA-N
MW465.47 g/mol
LogP1.30
Rot. Bonds6

About 5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide

5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide (PubChem CID 50995164) has the molecular formula C22H23N7O5 and a molecular weight of 465.47 g/mol. Its IUPAC name is 5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide
PubChem CID50995164
Molecular FormulaC22H23N7O5
Molecular Weight465.47 g/mol
Exact Mass465.18
IUPAC Name5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCOc1cc2c(cc1OC)C(=O)N(c1nnc(C(=O)Nc3cnccc3N3CCNCC3)o1)C2
InChIInChI=1S/C22H23N7O5/c1-32-17-9-13-12-29(21(31)14(13)10-18(17)33-2)22-27-26-20(34-22)19(30)25-15-11-24-4-3-16(15)28-7-5-23-6-8-28/h3-4,9-11,23H,5-8,12H2,1-2H3,(H,25,30)
InChIKeyHELMNWVQIUORIU-UHFFFAOYSA-N
XLogP1.30
TPSA134.95 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.47
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide (CID 50995164) is 5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide is COc1cc2c(cc1OC)C(=O)N(c1nnc(C(=O)Nc3cnccc3N3CCNCC3)o1)C2.
What is the InChIKey of 5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is HELMNWVQIUORIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O5/c1-32-17-9-13-12-29(21(31)14(13)10-18(17)33-2)22-27-26-20(34-22)19(30)25-15-11-24-4-3-16(15)28-7-5-23-6-8-28/h3-4,9-11,23H,5-8,12H2,1-2H3,(H,25,30).
What are the key properties of 5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide?
5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 465.47 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 50995164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).