Pyrano[2,3-c]pyrazole-2(6H)-acetic acid, 5-[2-[4-(2-methoxyphenyl)-1-piperazinyl]ethyl]-3,4-dimethyl-6-oxo-, ethyl ester
Basic information
- CAS
67056-19-3- Standard SMILES
CCOC(=O)Cn1nc2oc(=O)c(CCN3CCN(c4ccccc4OC)CC3)c(C)c2c1C- InChIKey
WWZNEVRKXCRHLH-UHFFFAOYSA-N- Molecular formula
- C25H32N4O5
- Average molar mass
- 468.5 g/mol
- Monoisotopic mass
- 468.23727013
Names & identifiers
- Preferred name
- Pyrano[2,3-c]pyrazole-2(6H)-acetic acid, 5-[2-[4-(2-methoxyphenyl)-1-piperazinyl]ethyl]-3,4-dimethyl-6-oxo-, ethyl ester
- IUPAC
- ethyl 2-[5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3,4-dimethyl-6-oxopyrano[2,3-c]pyrazol-2-yl]acetate
Names & synonyms
67056-19-3NSC342459NSC 342459MLS003116042Pyrano[2,3-c]pyrazole-2(6H)-acetic acid, 5-[2-[4-(2-methoxyphenyl)-1-piperazinyl]ethyl]-3,4-dimethyl-6-oxo-, ethyl esterPyrano(2,3-c)pyrazole-2(6H)-acetic acid, 5-(2-(4-(2-methoxyphenyl)-1-piperazinyl)ethyl)-3,4-dimethyl-6-oxo-, ethyl esterethyl 2-[5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3,4-dimethyl-6-oxopyrano[2,3-c]pyrazol-2-yl]acetateCHEMBL3188185DTXSID50217363NSC-342459SMR001831599Ethyl [5-{2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl}-3,4-dimethyl-6-oxopyrano[2,3-c]pyrazol-2(6H)-yl]acetate
Show more names
ethyl 2-[5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3,4-dimethyl-6-oxo-pyrano[2,3-c]pyrazol-2-yl]acetate
Database identifiers
- CAS
67056-19-3- PubChem CID
- 334940
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 86.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 766
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