7'-Chloro-3'-methyl-1'-phenyl-1'H-spiro[cyclohexane-1,4'-pyrazolo[3',4':4,5]pyrimido[1,2-b]pyridazine]
Basic information
- CAS
863669-39-0- Standard SMILES
Cc1nn(-c2ccccc2)c2c1C1(CCCCC1)N1N=C(Cl)C=CC1=N2- InChIKey
LWDCETJLZNGTJB-UHFFFAOYSA-N- Molecular formula
- C20H20ClN5
- Average molar mass
- 365.9 g/mol
- Monoisotopic mass
- 365.1407234
Names & identifiers
- Preferred name
- 7'-Chloro-3'-methyl-1'-phenyl-1'H-spiro[cyclohexane-1,4'-pyrazolo[3',4':4,5]pyrimido[1,2-b]pyridazine]
- IUPAC
- 12-chloro-4-methyl-6-phenylspiro[1,5,6,8,13-pentazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-2,1'-cyclohexane]
Names & synonyms
DTXSID101112520AKOS008052457863669-39-0Z995996527'-Chloro-3'-methyl-1'-phenyl-1'H-spiro[cyclohexane-1,4'-pyrazolo[3',4':4,5]pyrimido[1,2-b]pyridazine]7a(2)-Chloro-3a(2)-methyl-1a(2)-phenylspiro[cyclohexane-1,4a(2)(1a(2)H)-pyrazolo[3a(2),4a(2):4,5]pyrimido[1,2-b]pyridazine]
Database identifiers
- CAS
863669-39-0- PubChem CID
- 7996594
- DTXSID
DTXSID101112520
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 645
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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