Chemical Component Summary

Name(5S)-3-(3,6-dihydro-2H-pyran-4-yl)-7-[5-(prop-1-yn-1-yl)pyridin-3-yl]-5'H-spiro[1-benzopyrano[2,3-c]pyridine-5,4'-[1,3]oxazol]-2'-amine
Identifiers(4~{S})-3'-(3,6-dihydro-2~{H}-pyran-4-yl)-7'-(5-prop-1-ynylpyridin-3-yl)spiro[5~{H}-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
FormulaC27 H22 N4 O3
Molecular Weight450.489
TypeNON-POLYMER
Isomeric SMILESCC#Cc1cc(cnc1)c2ccc3c(c2)[C@@]4(COC(=N4)N)c5cc(ncc5O3)C6=CCOCC6
InChIInChI=1S/C27H22N4O3/c1-2-3-17-10-20(14-29-13-17)19-4-5-24-21(11-19)27(16-33-26(28)31-27)22-12-23(30-15-25(22)34-24)18-6-8-32-9-7-18/h4-6,10-15H,7-9,16H2,1H3,(H2,28,31)/t27-/m0/s1
InChIKeyPAMPHNBKOPBUKU-MHZLTWQESA-N

Chemical Details

Formal Charge0
Atom Count56
Chiral Atom Count1
Bond Count61
Aromatic Bond Count18

Related Resource References

Resource NameReference
Pharos CHEMBL4284110
PubChem 137348743
ChEMBL CHEMBL4284110