6-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(2-piperazin-1-ylphenyl)pyrazine-2-carboxamide

C25H26N6O4 — CID 59569238

IUPAC6-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(2-piperazin-1-ylphenyl)pyrazine-2-carboxamide
SMILESCOc1cc2c(cc1OC)C(=O)N(c1cncc(C(=O)Nc3ccccc3N3CCNCC3)n1)C2
InChIInChI=1S/C25H26N6O4/c1-34-21-11-16-15-31(25(33)17(16)12-22(21)35-2)23-14-27-13-19(28-23)24(32)29-18-5-3-4-6-20(18)30-9-7-26-8-10-30/h3-6,11-14,26H,7-10,15H2,1-2H3,(H,29,32)
InChIKeyYRSDFIRUEQVCRN-UHFFFAOYSA-N
MW474.52 g/mol
LogP2.32
Rot. Bonds6

About 6-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(2-piperazin-1-ylphenyl)pyrazine-2-carboxamide

6-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(2-piperazin-1-ylphenyl)pyrazine-2-carboxamide (PubChem CID 59569238) has the molecular formula C25H26N6O4 and a molecular weight of 474.52 g/mol. Its IUPAC name is 6-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(2-piperazin-1-ylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(2-piperazin-1-ylphenyl)pyrazine-2-carboxamide
PubChem CID59569238
Molecular FormulaC25H26N6O4
Molecular Weight474.52 g/mol
Exact Mass474.20
IUPAC Name6-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(2-piperazin-1-ylphenyl)pyrazine-2-carboxamide
SMILESCOc1cc2c(cc1OC)C(=O)N(c1cncc(C(=O)Nc3ccccc3N3CCNCC3)n1)C2
InChIInChI=1S/C25H26N6O4/c1-34-21-11-16-15-31(25(33)17(16)12-22(21)35-2)23-14-27-13-19(28-23)24(32)29-18-5-3-4-6-20(18)30-9-7-26-8-10-30/h3-6,11-14,26H,7-10,15H2,1-2H3,(H,29,32)
InChIKeyYRSDFIRUEQVCRN-UHFFFAOYSA-N
XLogP2.32
TPSA108.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.52
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(2-piperazin-1-ylphenyl)pyrazine-2-carboxamide?
The IUPAC name of 6-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(2-piperazin-1-ylphenyl)pyrazine-2-carboxamide (CID 59569238) is 6-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(2-piperazin-1-ylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 6-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(2-piperazin-1-ylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 6-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(2-piperazin-1-ylphenyl)pyrazine-2-carboxamide is COc1cc2c(cc1OC)C(=O)N(c1cncc(C(=O)Nc3ccccc3N3CCNCC3)n1)C2.
What is the InChIKey of 6-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(2-piperazin-1-ylphenyl)pyrazine-2-carboxamide?
The InChIKey is YRSDFIRUEQVCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O4/c1-34-21-11-16-15-31(25(33)17(16)12-22(21)35-2)23-14-27-13-19(28-23)24(32)29-18-5-3-4-6-20(18)30-9-7-26-8-10-30/h3-6,11-14,26H,7-10,15H2,1-2H3,(H,29,32).
What are the key properties of 6-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(2-piperazin-1-ylphenyl)pyrazine-2-carboxamide?
6-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(2-piperazin-1-ylphenyl)pyrazine-2-carboxamide has a molecular weight of 474.52 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(2-piperazin-1-ylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 59569238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).