4-Mmimpimp
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Basic information
- CAS
142764-75-8- Standard SMILES
COc1ccc(-c2nc3nc(-c4nc5nc(N6CCN(C)CC6)ccc5[nH]4)ccc3[nH]2)cc1- InChIKey
KHSJTRHHYVRJBO-UHFFFAOYSA-N- Molecular formula
- C24H24N8O
- Average molar mass
- 440.5 g/mol
- Monoisotopic mass
- 440.20730742
Overview
structure and RN given in first source; a topoisomerase II inhibitory analog of HOE 33258
Names & identifiers
- Preferred name
- 4-Mmimpimp
- IUPAC
- 2-(4-methoxyphenyl)-5-[5-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-imidazo[4,5-b]pyridine
- English name
- 2-(4-methoxyphenyl)-5-((4-methylpiperazin-1-yl)-3H-imidazo(4,5-b)pyridin-2-yl)-3H-imidazo(4,5-b)pyridine
- Molecular formula
- C24H24N8O
- Molecular weight
- 440.5
Names & synonyms
4-Mmimpimp142764-75-8DTXSID401621712-(4-Methoxyphenyl)-5-((4-methylpiperazin-1-yl)-3H-imidazo(4,5-b)pyridin-2-yl)-3H-imidazo(4,5-b)pyridineRefChem:252546DTXCID80846622'-(4-Methoxyphenyl)-5-(4-methyl-1-piperazinyl)-2,5'-bi-1H-imidazo(4,5-b)pyridine2'-(4-Methoxyphenyl)-5-(4-methylpiperazin-1-yl)-1H,1'H-2,5'-biimidazo[4,5-b]pyridine2,5'-Bi-1H-imidazo(4,5-b)pyridine, 2'-(4-methoxyphenyl)-5-(4-methyl-1-piperazinyl)-2,5'-Bi-3H-imidazo[4,5-b]pyridine, 2'-(4-methoxyphenyl)-5-(4-methyl-1-piperazinyl)-
Database identifiers
- CAS
142764-75-8- PubChem CID
- 5487490
- DTXSID
DTXSID40162171- Nikkaji
- J527.032D
Properties
Computed structural propertiesFilling in
- XLogP
- 3.2
- Topological polar surface area
- 98.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 652
Physicochemical properties
- Boiling point
- 624.965 · 624.965±65.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.458 · 1.458±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 9.095 · 9.095±0.70(predicted)
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Compounds that inhibit the activity of DNA TOPOISOMERASE II. Included in this category are a variety of ANTINEOPLASTIC AGENTS which target the eukaryotic form of topoisomerase II and ANTIBACTERIAL AGENTS which target the prokaryotic form of topoisomerase II.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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