Ryq3xey2TM
Basic information
- CAS
2649008-95-5- Standard SMILES
C=CC(=O)N1CCC([C@@H]2CCNn3c2nc(-c2ccc(Oc4ccccc4)cc2)c3C(N)=O)CC1- InChIKey
BTTAGXOSKCWYGQ-QFIPXVFZSA-N- Molecular formula
- C27H29N5O3
- Average molar mass
- 471.5 g/mol
- Monoisotopic mass
- 471.2270398
Names & identifiers
- Preferred name
- Ryq3xey2TM
- IUPAC
- (8S)-2-(4-phenoxyphenyl)-8-(1-prop-2-enoylpiperidin-4-yl)-5,6,7,8-tetrahydroimidazo[1,2-b]pyridazine-3-carboxamide
Names & synonyms
2649008-95-5RYQ3XEY2TMorb3134996US12552798, Example 1aBDBM792932EX-A13273TM471-1T210604(8S)-5,6,7,8-Tetrahydro-8-[1-(1-oxo-2-propen-1-yl)-4-piperidinyl]-2-(4-phenoxyphenyl)imidazo[1,2-b]pyridazine-3-carboxamide5,6,7,8-Tetrahydro-8-[1-(1-oxo-2-propen-1-yl)-4-piperidinyl]-2-(4-phenoxyphenyl)imidazo[1,2-b]pyridazine-3-carboxamide, (8S)-Imidazo[1,2-b]pyridazine-3-carboxamide, 5,6,7,8-tetrahydro-8-[1-(1-oxo-2-propen-1-yl)-4-piperidinyl]-2-(4-phenoxyphenyl)-, (8S)-
Database identifiers
- CAS
2649008-95-5- PubChem CID
- 175683814
- UNII
- RYQ3XEY2TM
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 756
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