A1JLH

~{N}-[(6-fluoranyl-1-methyl-indazol-7-yl)methyl]-1,5-dimethyl-4-(1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-ylsulfonyl)pyrrole-2-carboxamide

Created:2025-07-22
Last modified:  2025-09-17

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Chemical Details

Formal Charge0
Atom Count58
Chiral Atom Count0
Bond Count62
Aromatic Bond Count20
2D diagram of A1JLH
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Chemical Component Summary

Name~{N}-[(6-fluoranyl-1-methyl-indazol-7-yl)methyl]-1,5-dimethyl-4-(1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-ylsulfonyl)pyrrole-2-carboxamide
Systematic Name (OpenEye OEToolkits)~{N}-[(6-fluoranyl-1-methyl-indazol-7-yl)methyl]-1,5-dimethyl-4-(1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-ylsulfonyl)pyrrole-2-carboxamide
FormulaC22 H24 F N7 O3 S
Molecular Weight485.534
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385Cn1ncc2ccc(F)c(CNC(=O)c3cc(c(C)n3C)[S](=O)(=O)N4CCc5[nH]ncc5C4)c12
SMILESOpenEye OEToolkits2.0.7Cc1c(cc(n1C)C(=O)NCc2c(ccc3c2n(nc3)C)F)S(=O)(=O)N4CCc5c(cn[nH]5)C4
Canonical SMILESCACTVS3.385 Cn1ncc2ccc(F)c(CNC(=O)c3cc(c(C)n3C)[S](=O)(=O)N4CCc5[nH]ncc5C4)c12
Canonical SMILESOpenEye OEToolkits2.0.7 Cc1c(cc(n1C)C(=O)NCc2c(ccc3c2n(nc3)C)F)S(=O)(=O)N4CCc5c(cn[nH]5)C4
InChIInChI1.06 InChI=1S/C22H24FN7O3S/c1-13-20(34(32,33)30-7-6-18-15(12-30)9-25-27-18)8-19(28(13)2)22(31)24-11-16-17(23)5-4-14-10-26-29(3)21(14)16/h4-5,8-10H,6-7,11-12H2,1-3H3,(H,24,31)(H,25,27)
InChIKeyInChI1.06 KGOKNBFOEPMZIS-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 176730634