Basic information
- Standard SMILES
CCn1c(=O)c2ccccc2n1-c1nc(N2CCOCC2)c2nc(CN3CCC(C(C)(C)O)CC3)ccc2n1- InChIKey
QTANXTUOXLCCDA-UHFFFAOYSA-N- Molecular formula
- C29H37N7O3
- Average molar mass
- 531.6 g/mol
Names & identifiers
- Preferred name
- 2-ethyl-1-(6-((4-(2-hydroxypropan-2-yl)piperidin-1-yl)methyl)-4-morpholinopyrido[3,2-d]pyrimidin-2-yl)-1H-indazol-3(2H)-one
- IUPAC
- 2-ethyl-1-[6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]indazol-3-one
Names & synonyms
SCHEMBL2276367QTANXTUOXLCCDA-UHFFFAOYSA-N2-ethyl-1-(6-((4-(2-hydroxypropan-2-yl)piperidin-1-yl)methyl)-4-morpholinopyrido[3,2-d]pyrimidin-2-yl)-1H-indazol-3(2H)-one
Database identifiers
- PubChem CID
- 53378050
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 98.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 847
Related reactions
2 records
Compound notes
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