2-(4-fluorophenoxy)-N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]acetamide

C23H21FN4O4 — CID 91892902

About 2-(4-fluorophenoxy)-N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]acetamide

2-(4-fluorophenoxy)-N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]acetamide (PubChem CID 91892902) has the molecular formula C23H21FN4O4 and a molecular weight of 436.44 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]acetamide.

Molecular Properties

• Compound Name: 2-(4-fluorophenoxy)-N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]acetamide
• PubChem CID: 91892902
• Molecular Formula: C23H21FN4O4
• Molecular Weight: 436.44 g/mol
• Exact Mass: 436.15
• IUPAC Name: 2-(4-fluorophenoxy)-N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]acetamide
• SMILES: COc1cccc(-c2cc3c(=O)n(CCNC(=O)COc4ccc(F)cc4)ccn3n2)c1
• InChI: InChI=1S/C23H21FN4O4/c1-31-19-4-2-3-16(13-19)20-14-21-23(30)27(11-12-28(21)26-20)10-9-25-22(29)15-32-18-7-5-17(24)6-8-18/h2-8,11-14H,9-10,15H2,1H3,(H,25,29)
• InChIKey: SBYUBDBYMCPNKW-UHFFFAOYSA-N
• XLogP: 2.51
• TPSA: 86.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.44
LogP ≤ 5	2.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]acetamide?

The IUPAC name of 2-(4-fluorophenoxy)-N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]acetamide (CID 91892902) is 2-(4-fluorophenoxy)-N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]acetamide.

What is the SMILES notation for 2-(4-fluorophenoxy)-N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]acetamide?

The canonical SMILES for 2-(4-fluorophenoxy)-N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]acetamide is COc1cccc(-c2cc3c(=O)n(CCNC(=O)COc4ccc(F)cc4)ccn3n2)c1.

What is the InChIKey of 2-(4-fluorophenoxy)-N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]acetamide?

The InChIKey is SBYUBDBYMCPNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O4/c1-31-19-4-2-3-16(13-19)20-14-21-23(30)27(11-12-28(21)26-20)10-9-25-22(29)15-32-18-7-5-17(24)6-8-18/h2-8,11-14H,9-10,15H2,1H3,(H,25,29).

What are the key properties of 2-(4-fluorophenoxy)-N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]acetamide?

2-(4-fluorophenoxy)-N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]acetamide has a molecular weight of 436.44 g/mol, XLogP of 2.51, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-fluorophenoxy)-N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]acetamide is sourced from PubChem (CID 91892902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).