Chemical Component Summary

Name1-(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)-3-(2-{[3-(1-methylethyl)[1,2,4]triazolo[4,3-a]pyridin-6-yl]sulfanyl}benzyl)urea
Identifiers1-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-3-[[2-[(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)sulfanyl]phenyl]methyl]urea
FormulaC30 H33 N7 O S
Molecular Weight539.694
TypeNON-POLYMER
Isomeric SMILESCC(C)c1nnc2n1cc(cc2)Sc3ccccc3CNC(=O)Nc4cc(nn4c5ccccc5)C(C)(C)C
InChIInChI=1S/C30H33N7OS/c1-20(2)28-34-33-26-16-15-23(19-36(26)28)39-24-14-10-9-11-21(24)18-31-29(38)32-27-17-25(30(3,4)5)35-37(27)22-12-7-6-8-13-22/h6-17,19-20H,18H2,1-5H3,(H2,31,32,38)
InChIKeyGQJUPNKTYNFBRZ-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count72
Chiral Atom Count0
Bond Count76
Aromatic Bond Count28

Related Resource References

Resource NameReference
Pharos CHEMBL1938736
PubChem 53497556
ChEMBL CHEMBL1938736