Basic information
- CAS
791827-34-4- Standard SMILES
Cc1ccc(C2=NN(C(=O)c3sc4nc(C)cc(C)c4c3N)C(c3ccc(C)cc3)C2)cc1- InChIKey
YGBMUANARSNLLD-UHFFFAOYSA-N- Molecular formula
- C27H26N4OS
- Average molar mass
- 454.6 g/mol
- Monoisotopic mass
- 454.18273264
Names & identifiers
- Preferred name
- 2-{[3,5-bis(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]carbonyl}-4,6-dimethylthieno[2,3-b]pyridin-3-ylamine
- IUPAC
- (3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-[3,5-bis(4-methylphenyl)-3,4-dihydropyrazol-2-yl]methanone
- English name
- 2-{[3,5-bis(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]carbonyl}-4,6-dimethylthieno[2,3-b]pyridin-3-ylamine
- Molecular formula
- C27H26N4OS
- Molecular weight
- 454.58654
Names & synonyms
2-{[3,5-bis(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]carbonyl}-4,6-dimethylthieno[2,3-b]pyridin-3-ylamineSMR000161358MLS000325333AO-476/43250183(3-amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)-[3,5-bis(4-methylphenyl)-3,4-dihydropyrazol-2-yl]methanone
Database identifiers
- CAS
791827-34-4- PubChem CID
- 11841102
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 99.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 742
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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