A1IZ4

[4-(5-chloranyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-[2-[4-(1-cyclobutylcyclopropyl)pyridin-3-yl]-1,3-benzoxazol-6-yl]methanone

Created:2025-01-28
Last modified:  2025-12-10

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Chemical Details

Formal Charge0
Atom Count67
Chiral Atom Count0
Bond Count74
Aromatic Bond Count26
2D diagram of A1IZ4
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Chemical Component Summary

Name[4-(5-chloranyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-[2-[4-(1-cyclobutylcyclopropyl)pyridin-3-yl]-1,3-benzoxazol-6-yl]methanone
Systematic Name (OpenEye OEToolkits)[4-(5-chloranyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-[2-[4-(1-cyclobutylcyclopropyl)pyridin-3-yl]-1,3-benzoxazol-6-yl]methanone
FormulaC30 H27 Cl N6 O3
Molecular Weight555.027
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385Clc1ccc2oc(nc2n1)N3CCN(CC3)C(=O)c4ccc5nc(oc5c4)c6cnccc6C7(CC7)C8CCC8
SMILESOpenEye OEToolkits2.0.7c1cc2c(cc1C(=O)N3CCN(CC3)c4nc5c(o4)ccc(n5)Cl)oc(n2)c6cnccc6C7(CC7)C8CCC8
Canonical SMILESCACTVS3.385 Clc1ccc2oc(nc2n1)N3CCN(CC3)C(=O)c4ccc5nc(oc5c4)c6cnccc6C7(CC7)C8CCC8
Canonical SMILESOpenEye OEToolkits2.0.7 c1cc2c(cc1C(=O)N3CCN(CC3)c4nc5c(o4)ccc(n5)Cl)oc(n2)c6cnccc6C7(CC7)C8CCC8
InChIInChI1.06 InChI=1S/C30H27ClN6O3/c31-25-7-6-23-26(34-25)35-29(40-23)37-14-12-36(13-15-37)28(38)18-4-5-22-24(16-18)39-27(33-22)20-17-32-11-8-21(20)30(9-10-30)19-2-1-3-19/h4-8,11,16-17,19H,1-3,9-10,12-15H2
InChIKeyInChI1.06 MXJHPFWCVCDTIM-UHFFFAOYSA-N