2-(4-methoxyphenyl)-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide

C26H20N4O3S — CID 11554544

About 2-(4-methoxyphenyl)-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide

2-(4-methoxyphenyl)-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide (PubChem CID 11554544) has the molecular formula C26H20N4O3S and a molecular weight of 468.54 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide.

Molecular Properties

• Compound Name: 2-(4-methoxyphenyl)-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide
• PubChem CID: 11554544
• Molecular Formula: C26H20N4O3S
• Molecular Weight: 468.54 g/mol
• Exact Mass: 468.13
• IUPAC Name: 2-(4-methoxyphenyl)-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide
• SMILES: COc1ccc(CC(=O)Nc2cccc(-c3ccnc4c(C(=O)c5cccs5)cnn34)c2)cc1
• InChI: InChI=1S/C26H20N4O3S/c1-33-20-9-7-17(8-10-20)14-24(31)29-19-5-2-4-18(15-19)22-11-12-27-26-21(16-28-30(22)26)25(32)23-6-3-13-34-23/h2-13,15-16H,14H2,1H3,(H,29,31)
• InChIKey: BNPKRKIBVYZEHB-UHFFFAOYSA-N
• XLogP: 4.88
• TPSA: 85.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	468.54
LogP ≤ 5	4.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide?

The IUPAC name of 2-(4-methoxyphenyl)-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide (CID 11554544) is 2-(4-methoxyphenyl)-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide.

What is the SMILES notation for 2-(4-methoxyphenyl)-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide?

The canonical SMILES for 2-(4-methoxyphenyl)-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide is COc1ccc(CC(=O)Nc2cccc(-c3ccnc4c(C(=O)c5cccs5)cnn34)c2)cc1.

What is the InChIKey of 2-(4-methoxyphenyl)-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide?

The InChIKey is BNPKRKIBVYZEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N4O3S/c1-33-20-9-7-17(8-10-20)14-24(31)29-19-5-2-4-18(15-19)22-11-12-27-26-21(16-28-30(22)26)25(32)23-6-3-13-34-23/h2-13,15-16H,14H2,1H3,(H,29,31).

What are the key properties of 2-(4-methoxyphenyl)-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide?

2-(4-methoxyphenyl)-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide has a molecular weight of 468.54 g/mol, XLogP of 4.88, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-methoxyphenyl)-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide is sourced from PubChem (CID 11554544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).