2-(4-methylpiperazin-1-yl)-N-[3-(4-morpholin-4-ylphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide

C27H30N6O3 — CID 5329624

About 2-(4-methylpiperazin-1-yl)-N-[3-(4-morpholin-4-ylphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide

2-(4-methylpiperazin-1-yl)-N-[3-(4-morpholin-4-ylphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide (PubChem CID 5329624) has the molecular formula C27H30N6O3 and a molecular weight of 486.58 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-N-[3-(4-morpholin-4-ylphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide.

Molecular Properties

• Compound Name: 2-(4-methylpiperazin-1-yl)-N-[3-(4-morpholin-4-ylphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide
• PubChem CID: 5329624
• Molecular Formula: C27H30N6O3
• Molecular Weight: 486.58 g/mol
• Exact Mass: 486.24
• IUPAC Name: 2-(4-methylpiperazin-1-yl)-N-[3-(4-morpholin-4-ylphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide
• SMILES: CN1CCN(CC(=O)Nc2cccc3c2C(=O)c2c(-c4ccc(N5CCOCC5)cc4)n[nH]c2-3)CC1
• InChI: InChI=1S/C27H30N6O3/c1-31-9-11-32(12-10-31)17-22(34)28-21-4-2-3-20-23(21)27(35)24-25(29-30-26(20)24)18-5-7-19(8-6-18)33-13-15-36-16-14-33/h2-8H,9-17H2,1H3,(H,28,34)(H,29,30)
• InChIKey: STWGJFWWXVBMEE-UHFFFAOYSA-N
• XLogP: 2.31
• TPSA: 93.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	486.58
LogP ≤ 5	2.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-N-[3-(4-morpholin-4-ylphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide?

The IUPAC name of 2-(4-methylpiperazin-1-yl)-N-[3-(4-morpholin-4-ylphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide (CID 5329624) is 2-(4-methylpiperazin-1-yl)-N-[3-(4-morpholin-4-ylphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide.

What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-N-[3-(4-morpholin-4-ylphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide?

The canonical SMILES for 2-(4-methylpiperazin-1-yl)-N-[3-(4-morpholin-4-ylphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide is CN1CCN(CC(=O)Nc2cccc3c2C(=O)c2c(-c4ccc(N5CCOCC5)cc4)n[nH]c2-3)CC1.

What is the InChIKey of 2-(4-methylpiperazin-1-yl)-N-[3-(4-morpholin-4-ylphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide?

The InChIKey is STWGJFWWXVBMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O3/c1-31-9-11-32(12-10-31)17-22(34)28-21-4-2-3-20-23(21)27(35)24-25(29-30-26(20)24)18-5-7-19(8-6-18)33-13-15-36-16-14-33/h2-8H,9-17H2,1H3,(H,28,34)(H,29,30).

What are the key properties of 2-(4-methylpiperazin-1-yl)-N-[3-(4-morpholin-4-ylphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide?

2-(4-methylpiperazin-1-yl)-N-[3-(4-morpholin-4-ylphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide has a molecular weight of 486.58 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-methylpiperazin-1-yl)-N-[3-(4-morpholin-4-ylphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide is sourced from PubChem (CID 5329624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).