Basic information
- Standard SMILES
CC(C)n1nc(-c2cccc(C(=O)NC3=NCCS3)c2)c2c(N)ncnc21- InChIKey
WGYPOAXANMFHMT-UHFFFAOYSA-N- Molecular formula
- C18H19N7OS
- Average molar mass
- 381.5 g/mol
- Monoisotopic mass
- 381.13717943
Names & identifiers
- Preferred name
- 3-(4-amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-N-(4,5-dihydrothiazol-2-yl)benzamide
- IUPAC
- 3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide
Names & synonyms
PP301092788-09-43-(4-amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-N-(4,5-dihydrothiazol-2-yl)benzamideCHEMBL12421153-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamideorb1699607SCHEMBL2434109SCHEMBL29353728WGYPOAXANMFHMT-UHFFFAOYSA-NBDBM50503139AKOS040749227HY-15269
Show more names
CS-0003829T28439
Database identifiers
- PubChem CID
- 24905154
- ChEMBL
CHEMBL1242115
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 586
Related reactions
5 records
Compound notes
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