A1CZW

N'-[3-(2-{[(7M)-8-methyl-7-(2-methylpyridin-4-yl)-3,4-dihydrospiro[[1]benzopyran-2,4'-piperidin]-1'-yl]methyl}pyridin-3-yl)propanoyl]-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-4-oxobutanehydrazide

Created:2025-11-04
Last modified:  2026-02-18

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Chemical Details

Formal Charge0
Atom Count95
Chiral Atom Count0
Bond Count101
Aromatic Bond Count18
2D diagram of A1CZW
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Chemical Component Summary

NameN'-[3-(2-{[(7M)-8-methyl-7-(2-methylpyridin-4-yl)-3,4-dihydrospiro[[1]benzopyran-2,4'-piperidin]-1'-yl]methyl}pyridin-3-yl)propanoyl]-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-4-oxobutanehydrazide
Systematic Name (OpenEye OEToolkits)~{N}'-[3-[2-[[8-methyl-7-(2-methylpyridin-4-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]methyl]pyridin-3-yl]propanoyl]-4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-4-oxidanylidene-butanehydrazide
FormulaC38 H46 N6 O5
Molecular Weight666.809
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52O=C(CCC(=O)NNC(=O)CCc1cccnc1CN1CCC2(CC1)CCc1ccc(c3ccnc(C)c3)c(C)c1O2)N1CC2(COC2)C1
SMILESCACTVS3.385Cc1cc(ccn1)c2ccc3CCC4(CCN(CC4)Cc5ncccc5CCC(=O)NNC(=O)CCC(=O)N6CC7(COC7)C6)Oc3c2C
SMILESOpenEye OEToolkits3.1.0.0Cc1cc(ccn1)c2ccc3c(c2C)OC4(CC3)CCN(CC4)Cc5c(cccn5)CCC(=O)NNC(=O)CCC(=O)N6CC7(C6)COC7
Canonical SMILESCACTVS3.385 Cc1cc(ccn1)c2ccc3CCC4(CCN(CC4)Cc5ncccc5CCC(=O)NNC(=O)CCC(=O)N6CC7(COC7)C6)Oc3c2C
Canonical SMILESOpenEye OEToolkits3.1.0.0 Cc1cc(ccn1)c2ccc3c(c2C)OC4(CC3)CCN(CC4)Cc5c(cccn5)CCC(=O)NNC(=O)CCC(=O)N6CC7(C6)COC7
InChIInChI1.06 InChI=1S/C38H46N6O5/c1-26-20-30(12-17-39-26)31-7-5-29-11-13-38(49-36(29)27(31)2)14-18-43(19-15-38)21-32-28(4-3-16-40-32)6-8-33(45)41-42-34(46)9-10-35(47)44-22-37(23-44)24-48-25-37/h3-5,7,12,16-17,20H,6,8-11,13-15,18-19,21-25H2,1-2H3,(H,41,45)(H,42,46)
InChIKeyInChI1.06 FOXKCTVUOUVVFM-UHFFFAOYSA-N