8BS
N-[(3R,4R)-4-fluoro-1-{6-[(3-methoxy-1-methyl-1H-pyrazol-4-yl)amino]-9-methyl-9H-purin-2-yl}pyrrolidin-3-yl]propanamide
Find entries where: 8BS
as a non-polymer is covalently linked to polymer or other heterogen groups 4 entries
Chemical Component Summary | |
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Name | N-[(3R,4R)-4-fluoro-1-{6-[(3-methoxy-1-methyl-1H-pyrazol-4-yl)amino]-9-methyl-9H-purin-2-yl}pyrrolidin-3-yl]propanamide |
Identifiers | ~{N}-[(3~{R},4~{R})-4-fluoranyl-1-[6-[(3-methoxy-1-methyl-pyrazol-4-yl)amino]-9-methyl-purin-2-yl]pyrrolidin-3-yl]propanamide |
Formula | C18 H24 F N9 O2 |
Molecular Weight | 417.441 |
Type | NON-POLYMER |
Isomeric SMILES | CCC(=O)N[C@@H]1CN(C[C@H]1F)c2nc(c3c(n2)n(cn3)C)Nc4cn(nc4OC)C |
InChI | InChI=1S/C18H24FN9O2/c1-5-13(29)21-11-8-28(6-10(11)19)18-23-15(14-16(24-18)26(2)9-20-14)22-12-7-27(3)25-17(12)30-4/h7,9-11H,5-6,8H2,1-4H3,(H,21,29)(H,22,23,24)/t10-,11-/m1/s1 |
InChIKey | XWNKXCUQRQRAFF-GHMZBOCLSA-N |
Chemical Details | |
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Formal Charge | 0 |
Atom Count | 54 |
Chiral Atom Count | 2 |
Bond Count | 57 |
Aromatic Bond Count | 15 |
Related Resource References
Resource Name | Reference |
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PubChem | 137348700 |