4ZB

(3R)-3-methyl-1-(4-{[2-methyl-1-(propan-2-yl)-1H-imidazo[4,5-c]pyridin-6-yl]amino}pyrimidin-2-yl)pyrrolidine-3-carboxamide

Created:2015-07-01
Last modified:  2015-10-28

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Chemical Details

Formal Charge0
Atom Count55
Chiral Atom Count1
Bond Count58
Aromatic Bond Count16
2D diagram of 4ZB

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Chemical Component Summary

Name(3R)-3-methyl-1-(4-{[2-methyl-1-(propan-2-yl)-1H-imidazo[4,5-c]pyridin-6-yl]amino}pyrimidin-2-yl)pyrrolidine-3-carboxamide
Systematic Name (OpenEye OEToolkits)(3R)-3-methyl-1-[4-[(2-methyl-1-propan-2-yl-imidazo[4,5-c]pyridin-6-yl)amino]pyrimidin-2-yl]pyrrolidine-3-carboxamide
FormulaC20 H26 N8 O
Molecular Weight394.473
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c21nc(C)n(C(C)C)c1cc(nc2)Nc3ccnc(n3)N4CCC(C(=O)N)(C4)C
SMILESCACTVS3.385CC(C)n1c(C)nc2cnc(Nc3ccnc(n3)N4CC[C](C)(C4)C(N)=O)cc12
SMILESOpenEye OEToolkits1.9.2Cc1nc2cnc(cc2n1C(C)C)Nc3ccnc(n3)N4CCC(C4)(C)C(=O)N
Canonical SMILESCACTVS3.385 CC(C)n1c(C)nc2cnc(Nc3ccnc(n3)N4CC[C@](C)(C4)C(N)=O)cc12
Canonical SMILESOpenEye OEToolkits1.9.2 Cc1nc2cnc(cc2n1C(C)C)Nc3ccnc(n3)N4CC[C@@](C4)(C)C(=O)N
InChIInChI1.03 InChI=1S/C20H26N8O/c1-12(2)28-13(3)24-14-10-23-17(9-15(14)28)25-16-5-7-22-19(26-16)27-8-6-20(4,11-27)18(21)29/h5,7,9-10,12H,6,8,11H2,1-4H3,(H2,21,29)(H,22,23,25,26)/t20-/m1/s1
InChIKeyInChI1.03 WPZKCOGUAMITHT-HXUWFJFHSA-N

Related Resource References

Resource NameReference
PubChem 91971391