N-(1-adamantyl)-2-(4-methoxyphenyl)-7-oxo-4-pentyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

HCID 127034412

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Basic information

CAS: 1883816-47-4
Standard SMILES: CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)n2nc(-c3ccc(OC)cc3)nc12
InChIKey: UDBZOJOCSPLOHN-UHFFFAOYSA-N
Molecular formula: C28H35N5O3
Average molar mass: 489.6 g/mol
Monoisotopic mass: 489.27399

Names & identifiers

Preferred name: N-(1-adamantyl)-2-(4-methoxyphenyl)-7-oxo-4-pentyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
IUPAC: N-(1-adamantyl)-2-(4-methoxyphenyl)-7-oxo-4-pentyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

Names & synonyms

CHEMBL3774717DTXSID801103516BDBM50154568[1,2,4]Triazolo[1,5-a]pyrimidine-6-carboxamide, 4,7-dihydro-2-(4-methoxyphenyl)-7-oxo-4-pentyl-N-tricyclo[3.3.1.13,7]dec-1-yl-1883816-47-4

Database identifiers

CAS: 1883816-47-4
PubChem CID: 127034412
DTXSID: DTXSID801103516
ChEMBL: CHEMBL3774717

Properties

Computed structural properties

XLogP: 5.8
Topological polar surface area: 89.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 8
Heavy atoms: 36
Formal charge: 0
Complexity: 841

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