2-[5-[(2-fluorophenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide

C26H29FN6O2 — CID 20892220

About 2-[5-[(2-fluorophenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide

2-[5-[(2-fluorophenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide (PubChem CID 20892220) has the molecular formula C26H29FN6O2 and a molecular weight of 476.56 g/mol. Its IUPAC name is 2-[5-[(2-fluorophenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide.

Molecular Properties

• Compound Name: 2-[5-[(2-fluorophenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide
• PubChem CID: 20892220
• Molecular Formula: C26H29FN6O2
• Molecular Weight: 476.56 g/mol
• Exact Mass: 476.23
• IUPAC Name: 2-[5-[(2-fluorophenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide
• SMILES: CN1CCN(CCNC(=O)Cn2ncc3c4ccccc4n(Cc4ccccc4F)c3c2=O)CC1
• InChI: InChI=1S/C26H29FN6O2/c1-30-12-14-31(15-13-30)11-10-28-24(34)18-33-26(35)25-21(16-29-33)20-7-3-5-9-23(20)32(25)17-19-6-2-4-8-22(19)27/h2-9,16H,10-15,17-18H2,1H3,(H,28,34)
• InChIKey: RJNSTHXZYLIKMH-UHFFFAOYSA-N
• XLogP: 1.90
• TPSA: 75.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.56
LogP ≤ 5	1.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2-fluorophenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide?

The IUPAC name of 2-[5-[(2-fluorophenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide (CID 20892220) is 2-[5-[(2-fluorophenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide.

What is the SMILES notation for 2-[5-[(2-fluorophenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide?

The canonical SMILES for 2-[5-[(2-fluorophenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide is CN1CCN(CCNC(=O)Cn2ncc3c4ccccc4n(Cc4ccccc4F)c3c2=O)CC1.

What is the InChIKey of 2-[5-[(2-fluorophenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide?

The InChIKey is RJNSTHXZYLIKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN6O2/c1-30-12-14-31(15-13-30)11-10-28-24(34)18-33-26(35)25-21(16-29-33)20-7-3-5-9-23(20)32(25)17-19-6-2-4-8-22(19)27/h2-9,16H,10-15,17-18H2,1H3,(H,28,34).

What are the key properties of 2-[5-[(2-fluorophenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide?

2-[5-[(2-fluorophenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide has a molecular weight of 476.56 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[(2-fluorophenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide is sourced from PubChem (CID 20892220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).