(S)-2-(4-Phenoxyphenyl)-7-(piperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonitrile dihydrochloride
Basic information
- CAS
2190506-61-5- Standard SMILES
Cl.Cl.N#Cc1c(-c2ccc(Oc3ccccc3)cc2)nn2c1NCC[C@H]2C1CCNCC1- InChIKey
KLZRHDFXMNNEIR-IKXQUJFKSA-N- Molecular formula
- C24H27Cl2N5O
- Average molar mass
- 472.4 g/mol
- Monoisotopic mass
- 471.1592659
Names & identifiers
- Preferred name
- (S)-2-(4-Phenoxyphenyl)-7-(piperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonitrile dihydrochloride
- IUPAC
- (7S)-2-(4-phenoxyphenyl)-7-piperidin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonitrile;dihydrochloride
Names & synonyms
3MZR7P6H86(S)-2-(4-Phenoxyphenyl)-7-(piperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonitrile dihydrochloride2190506-61-54,5,6,7-Tetrahydro-2-(4-phenoxyphenyl)-7-(4-piperidinyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile hydrochloride, (7S)-Pyrazolo[1,5-a]pyrimidine-3-carbonitrile, 4,5,6,7-tetrahydro-2-(4-phenoxyphenyl)-7-(4-piperidinyl)-, hydrochloride (1:2), (7S)-
Database identifiers
- CAS
2190506-61-5- PubChem CID
- 168448024
- UNII
- 3MZR7P6H86
Properties
Computed structural properties
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 600
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Compound notes
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