5-[(3-methoxyphenyl)methyl]-4-oxo-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]quinoxaline-7-carboxamide

C25H21N5O3 — CID 53186706

About 5-[(3-methoxyphenyl)methyl]-4-oxo-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]quinoxaline-7-carboxamide

5-[(3-methoxyphenyl)methyl]-4-oxo-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]quinoxaline-7-carboxamide (PubChem CID 53186706) has the molecular formula C25H21N5O3 and a molecular weight of 439.48 g/mol. Its IUPAC name is 5-[(3-methoxyphenyl)methyl]-4-oxo-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]quinoxaline-7-carboxamide.

Molecular Properties

• Compound Name: 5-[(3-methoxyphenyl)methyl]-4-oxo-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]quinoxaline-7-carboxamide
• PubChem CID: 53186706
• Molecular Formula: C25H21N5O3
• Molecular Weight: 439.48 g/mol
• Exact Mass: 439.16
• IUPAC Name: 5-[(3-methoxyphenyl)methyl]-4-oxo-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]quinoxaline-7-carboxamide
• SMILES: COc1cccc(Cn2c(=O)c3ccnn3c3ccc(C(=O)NCc4ccncc4)cc32)c1
• InChI: InChI=1S/C25H21N5O3/c1-33-20-4-2-3-18(13-20)16-29-23-14-19(24(31)27-15-17-7-10-26-11-8-17)5-6-21(23)30-22(25(29)32)9-12-28-30/h2-14H,15-16H2,1H3,(H,27,31)
• InChIKey: RNKQQIFPIRMJJS-UHFFFAOYSA-N
• XLogP: 3.03
• TPSA: 90.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.48
LogP ≤ 5	3.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methoxyphenyl)methyl]-4-oxo-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]quinoxaline-7-carboxamide?

The IUPAC name of 5-[(3-methoxyphenyl)methyl]-4-oxo-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]quinoxaline-7-carboxamide (CID 53186706) is 5-[(3-methoxyphenyl)methyl]-4-oxo-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]quinoxaline-7-carboxamide.

What is the SMILES notation for 5-[(3-methoxyphenyl)methyl]-4-oxo-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]quinoxaline-7-carboxamide?

The canonical SMILES for 5-[(3-methoxyphenyl)methyl]-4-oxo-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]quinoxaline-7-carboxamide is COc1cccc(Cn2c(=O)c3ccnn3c3ccc(C(=O)NCc4ccncc4)cc32)c1.

What is the InChIKey of 5-[(3-methoxyphenyl)methyl]-4-oxo-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]quinoxaline-7-carboxamide?

The InChIKey is RNKQQIFPIRMJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O3/c1-33-20-4-2-3-18(13-20)16-29-23-14-19(24(31)27-15-17-7-10-26-11-8-17)5-6-21(23)30-22(25(29)32)9-12-28-30/h2-14H,15-16H2,1H3,(H,27,31).

What are the key properties of 5-[(3-methoxyphenyl)methyl]-4-oxo-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]quinoxaline-7-carboxamide?

5-[(3-methoxyphenyl)methyl]-4-oxo-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]quinoxaline-7-carboxamide has a molecular weight of 439.48 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(3-methoxyphenyl)methyl]-4-oxo-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]quinoxaline-7-carboxamide is sourced from PubChem (CID 53186706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).