US9296747, Example 4
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Basic information
- Standard SMILES
O=C(c1cccnc1)N1CCc2nc(Nc3ccccc3)ncc2C1- InChIKey
ORCGGUPGDCETGI-UHFFFAOYSA-N- Molecular formula
- C19H17N5O
- Average molar mass
- 331.4 g/mol
Names & identifiers
- Preferred name
- US9296747, Example 4
- IUPAC
- (2-anilino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-pyridin-3-ylmethanone
Names & synonyms
CHEMBL3912751SCHEMBL17620622US9296747, Example 4ORCGGUPGDCETGI-UHFFFAOYSA-NBDBM214709N-phenyl-6-(pyridin-3-ylcarbonyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine
Database identifiers
- PubChem CID
- 118970902
- ChEMBL
CHEMBL3912751
Properties
Computed structural propertiesFilling in
- XLogP
- 2
- Topological polar surface area
- 71 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 453
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Related reactions
1 records
Compound notes
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