8-methyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-5H-pyridazino[4,5-b]indol-4-one

C23H23N5O2 — CID 135550957

About 8-methyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-5H-pyridazino[4,5-b]indol-4-one

8-methyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-5H-pyridazino[4,5-b]indol-4-one (PubChem CID 135550957) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is 8-methyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-5H-pyridazino[4,5-b]indol-4-one.

Molecular Properties

• Compound Name: 8-methyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-5H-pyridazino[4,5-b]indol-4-one
• PubChem CID: 135550957
• Molecular Formula: C23H23N5O2
• Molecular Weight: 401.47 g/mol
• Exact Mass: 401.19
• IUPAC Name: 8-methyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-5H-pyridazino[4,5-b]indol-4-one
• SMILES: Cc1ccc2[nH]c3c(=O)n(CC(=O)N4CCN(c5ccccc5)CC4)ncc3c2c1
• InChI: InChI=1S/C23H23N5O2/c1-16-7-8-20-18(13-16)19-14-24-28(23(30)22(19)25-20)15-21(29)27-11-9-26(10-12-27)17-5-3-2-4-6-17/h2-8,13-14,25H,9-12,15H2,1H3
• InChIKey: BENGDCYNWDCNIV-UHFFFAOYSA-N
• XLogP: 2.54
• TPSA: 74.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.47
LogP ≤ 5	2.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-5H-pyridazino[4,5-b]indol-4-one?

The IUPAC name of 8-methyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-5H-pyridazino[4,5-b]indol-4-one (CID 135550957) is 8-methyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-5H-pyridazino[4,5-b]indol-4-one.

What is the SMILES notation for 8-methyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-5H-pyridazino[4,5-b]indol-4-one?

The canonical SMILES for 8-methyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-5H-pyridazino[4,5-b]indol-4-one is Cc1ccc2[nH]c3c(=O)n(CC(=O)N4CCN(c5ccccc5)CC4)ncc3c2c1.

What is the InChIKey of 8-methyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-5H-pyridazino[4,5-b]indol-4-one?

The InChIKey is BENGDCYNWDCNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-16-7-8-20-18(13-16)19-14-24-28(23(30)22(19)25-20)15-21(29)27-11-9-26(10-12-27)17-5-3-2-4-6-17/h2-8,13-14,25H,9-12,15H2,1H3.

What are the key properties of 8-methyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-5H-pyridazino[4,5-b]indol-4-one?

8-methyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-5H-pyridazino[4,5-b]indol-4-one has a molecular weight of 401.47 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8-methyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-5H-pyridazino[4,5-b]indol-4-one is sourced from PubChem (CID 135550957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).