X5I

(6M)-4-{[(2R)-azepan-2-yl]methyl}-6-[(4R)-imidazo[1,2-a]pyridin-3-yl]-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one

Created:2023-10-23
Last modified:  2024-11-06

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Chemical Details

Formal Charge0
Atom Count51
Chiral Atom Count1
Bond Count55
Aromatic Bond Count16
2D diagram of X5I

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Chemical Component Summary

Name(6M)-4-{[(2R)-azepan-2-yl]methyl}-6-[(4R)-imidazo[1,2-a]pyridin-3-yl]-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one
Systematic Name (OpenEye OEToolkits)4-[[(2~{R})-azepan-2-yl]methyl]-6-imidazo[1,2-a]pyridin-3-yl-pyrido[3,2-b][1,4]oxazin-3-one
FormulaC21 H23 N5 O2
Molecular Weight377.44
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C1COc2ccc(nc2N1CC1CCCCCN1)c1cnc2ccccn21
SMILESCACTVS3.385O=C1COc2ccc(nc2N1C[CH]3CCCCCN3)c4cnc5ccccn45
SMILESOpenEye OEToolkits2.0.7c1ccn2c(c1)ncc2c3ccc4c(n3)N(C(=O)CO4)CC5CCCCCN5
Canonical SMILESCACTVS3.385 O=C1COc2ccc(nc2N1C[C@H]3CCCCCN3)c4cnc5ccccn45
Canonical SMILESOpenEye OEToolkits2.0.7 c1ccn2c(c1)ncc2c3ccc4c(n3)N(C(=O)CO4)C[C@H]5CCCCCN5
InChIInChI1.06 InChI=1S/C21H23N5O2/c27-20-14-28-18-9-8-16(17-12-23-19-7-3-5-11-25(17)19)24-21(18)26(20)13-15-6-2-1-4-10-22-15/h3,5,7-9,11-12,15,22H,1-2,4,6,10,13-14H2/t15-/m1/s1
InChIKeyInChI1.06 YYCHTNBYNGXUNO-OAHLLOKOSA-N

Related Resource References

Resource NameReference
PubChem 172408421