A1JDF

~{N}-[(1-cyclopropyl-6-fluoranyl-indazol-7-yl)methyl]-1,5-dimethyl-4-[(7-methyl-2~{H}-indazol-5-yl)sulfonyl]pyrrole-2-carboxamide

Created:2025-05-15
Last modified:  2025-08-27

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Chemical Details

Formal Charge0
Atom Count62
Chiral Atom Count0
Bond Count67
Aromatic Bond Count25
2D diagram of A1JDF
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Chemical Component Summary

Name~{N}-[(1-cyclopropyl-6-fluoranyl-indazol-7-yl)methyl]-1,5-dimethyl-4-[(7-methyl-2~{H}-indazol-5-yl)sulfonyl]pyrrole-2-carboxamide
Systematic Name (OpenEye OEToolkits)~{N}-[(1-cyclopropyl-6-fluoranyl-indazol-7-yl)methyl]-1,5-dimethyl-4-[(7-methyl-2~{H}-indazol-5-yl)sulfonyl]pyrrole-2-carboxamide
FormulaC26 H25 F N6 O3 S
Molecular Weight520.579
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385Cn1c(C)c(cc1C(=O)NCc2c(F)ccc3cnn(C4CC4)c23)[S](=O)(=O)c5cc(C)c6n[nH]cc6c5
SMILESOpenEye OEToolkits2.0.7Cc1cc(cc2c1n[nH]c2)S(=O)(=O)c3cc(n(c3C)C)C(=O)NCc4c(ccc5c4n(nc5)C6CC6)F
Canonical SMILESCACTVS3.385 Cn1c(C)c(cc1C(=O)NCc2c(F)ccc3cnn(C4CC4)c23)[S](=O)(=O)c5cc(C)c6n[nH]cc6c5
Canonical SMILESOpenEye OEToolkits2.0.7 Cc1cc(cc2c1n[nH]c2)S(=O)(=O)c3cc(n(c3C)C)C(=O)NCc4c(ccc5c4n(nc5)C6CC6)F
InChIInChI1.06 InChI=1S/C26H25FN6O3S/c1-14-8-19(9-17-11-29-31-24(14)17)37(35,36)23-10-22(32(3)15(23)2)26(34)28-13-20-21(27)7-4-16-12-30-33(25(16)20)18-5-6-18/h4,7-12,18H,5-6,13H2,1-3H3,(H,28,34)(H,29,31)
InChIKeyInChI1.06 KWNCMJIBFWUTJW-UHFFFAOYSA-N