N,5-dibenzyl-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

C26H24N4O2S — CID 53049306

About N,5-dibenzyl-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

N,5-dibenzyl-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 53049306) has the molecular formula C26H24N4O2S and a molecular weight of 456.57 g/mol. Its IUPAC name is N,5-dibenzyl-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

• Compound Name: N,5-dibenzyl-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
• PubChem CID: 53049306
• Molecular Formula: C26H24N4O2S
• Molecular Weight: 456.57 g/mol
• Exact Mass: 456.16
• IUPAC Name: N,5-dibenzyl-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
• SMILES: CC1(C(=O)NCc2ccccc2)Cn2nc(-c3cccs3)cc2C(=O)N1Cc1ccccc1
• InChI: InChI=1S/C26H24N4O2S/c1-26(25(32)27-16-19-9-4-2-5-10-19)18-30-22(15-21(28-30)23-13-8-14-33-23)24(31)29(26)17-20-11-6-3-7-12-20/h2-15H,16-18H2,1H3,(H,27,32)
• InChIKey: DWOYSQSCOWMUSI-UHFFFAOYSA-N
• XLogP: 4.34
• TPSA: 67.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.57
LogP ≤ 5	4.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N,5-dibenzyl-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?

The IUPAC name of N,5-dibenzyl-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 53049306) is N,5-dibenzyl-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

What is the SMILES notation for N,5-dibenzyl-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?

The canonical SMILES for N,5-dibenzyl-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is CC1(C(=O)NCc2ccccc2)Cn2nc(-c3cccs3)cc2C(=O)N1Cc1ccccc1.

What is the InChIKey of N,5-dibenzyl-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?

The InChIKey is DWOYSQSCOWMUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O2S/c1-26(25(32)27-16-19-9-4-2-5-10-19)18-30-22(15-21(28-30)23-13-8-14-33-23)24(31)29(26)17-20-11-6-3-7-12-20/h2-15H,16-18H2,1H3,(H,27,32).

What are the key properties of N,5-dibenzyl-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?

N,5-dibenzyl-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 456.57 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N,5-dibenzyl-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 53049306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).