A1A8H

[(7S)-6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6-azaspiro[3.4]octan-7-yl]methanol

Created:2024-09-19
Last modified:  2025-06-11

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Chemical Details

Formal Charge0
Atom Count37
Chiral Atom Count1
Bond Count40
Aromatic Bond Count10
2D diagram of A1A8H

Chemical Component Summary

Name[(7S)-6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-6-azaspiro[3.4]octan-7-yl]methanol
Systematic Name (OpenEye OEToolkits)[(7~{S})-6-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)-6-azaspiro[3.4]octan-7-yl]methanol
FormulaC14 H18 N4 O
Molecular Weight258.319
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52OCC1CC2(CCC2)CN1c1ncnc2[NH]ccc12
SMILESCACTVS3.385OC[CH]1CC2(CCC2)CN1c3ncnc4[nH]ccc34
SMILESOpenEye OEToolkits3.1.0.0c1c[nH]c2c1c(ncn2)N3CC4(CCC4)CC3CO
Canonical SMILESCACTVS3.385 OC[C@@H]1CC2(CCC2)CN1c3ncnc4[nH]ccc34
Canonical SMILESOpenEye OEToolkits3.1.0.0 c1c[nH]c2c1c(ncn2)N3CC4(CCC4)C[C@H]3CO
InChIInChI1.06 InChI=1S/C14H18N4O/c19-7-10-6-14(3-1-4-14)8-18(10)13-11-2-5-15-12(11)16-9-17-13/h2,5,9-10,19H,1,3-4,6-8H2,(H,15,16,17)/t10-/m0/s1
InChIKeyInChI1.06 JKDCXEJVKAHQHT-JTQLQIEISA-N

Related Resource References

Resource NameReference
PubChem 175667924