9J4

4-{[(1R,3S)-3-amino-2,2,3-trimethylcyclopentyl]amino}-6-phenylpyrrolo[1,2-b]pyridazine-3-carboxamide


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Chemical Component Summary

Name4-{[(1R,3S)-3-amino-2,2,3-trimethylcyclopentyl]amino}-6-phenylpyrrolo[1,2-b]pyridazine-3-carboxamide
Identifiers4-[[(1~{R},3~{S})-3-azanyl-2,2,3-trimethyl-cyclopentyl]amino]-6-phenyl-pyrrolo[1,2-b]pyridazine-3-carboxamide
FormulaC22 H27 N5 O
Molecular Weight377.483
TypeNON-POLYMER
Isomeric SMILESC[C@@]1(CC[C@H](C1(C)C)Nc2c3cc(cn3ncc2C(=O)N)c4ccccc4)N
InChIInChI=1S/C22H27N5O/c1-21(2)18(9-10-22(21,3)24)26-19-16(20(23)28)12-25-27-13-15(11-17(19)27)14-7-5-4-6-8-14/h4-8,11-13,18,26H,9-10,24H2,1-3H3,(H2,23,28)/t18-,22+/m1/s1
InChIKeyDIFGSGNUHRNWPK-GCJKJVERSA-N

Chemical Details

Formal Charge0
Atom Count55
Chiral Atom Count2
Bond Count58
Aromatic Bond Count16

Related Resource References

Resource NameReference
Pharos CHEMBL4096145
PubChem 117769575
ChEMBL CHEMBL4096145