2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-5-[(3-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

C31H32N4O5 — CID 50756596

About 2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-5-[(3-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-5-[(3-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 50756596) has the molecular formula C31H32N4O5 and a molecular weight of 540.62 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-5-[(3-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

• Compound Name: 2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-5-[(3-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
• PubChem CID: 50756596
• Molecular Formula: C31H32N4O5
• Molecular Weight: 540.62 g/mol
• Exact Mass: 540.24
• IUPAC Name: 2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-5-[(3-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
• SMILES: COc1ccc(-c2cc3n(n2)CC(C)(C(=O)NCc2ccccc2OC)N(Cc2cccc(OC)c2)C3=O)cc1
• InChI: InChI=1S/C31H32N4O5/c1-31(30(37)32-18-23-9-5-6-11-28(23)40-4)20-35-27(17-26(33-35)22-12-14-24(38-2)15-13-22)29(36)34(31)19-21-8-7-10-25(16-21)39-3/h5-17H,18-20H2,1-4H3,(H,32,37)
• InChIKey: XGTSXIOLYOEKNB-UHFFFAOYSA-N
• XLogP: 4.31
• TPSA: 94.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	540.62
LogP ≤ 5	4.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-5-[(3-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?

The IUPAC name of 2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-5-[(3-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 50756596) is 2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-5-[(3-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

What is the SMILES notation for 2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-5-[(3-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?

The canonical SMILES for 2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-5-[(3-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is COc1ccc(-c2cc3n(n2)CC(C)(C(=O)NCc2ccccc2OC)N(Cc2cccc(OC)c2)C3=O)cc1.

What is the InChIKey of 2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-5-[(3-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?

The InChIKey is XGTSXIOLYOEKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N4O5/c1-31(30(37)32-18-23-9-5-6-11-28(23)40-4)20-35-27(17-26(33-35)22-12-14-24(38-2)15-13-22)29(36)34(31)19-21-8-7-10-25(16-21)39-3/h5-17H,18-20H2,1-4H3,(H,32,37).

What are the key properties of 2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-5-[(3-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?

2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-5-[(3-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 540.62 g/mol, XLogP of 4.31, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-5-[(3-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 50756596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).