WAW

N-{[(3S)-2-(3-fluoropyrazin-2-yl)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl}-1H-indazole-4-carboxamide

Created:2023-09-29
Last modified:  2024-10-09

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Chemical Details

Formal Charge0
Atom Count49
Chiral Atom Count1
Bond Count53
Aromatic Bond Count22
2D diagram of WAW

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Chemical Component Summary

NameN-{[(3S)-2-(3-fluoropyrazin-2-yl)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl}-1H-indazole-4-carboxamide
Systematic Name (OpenEye OEToolkits)~{N}-[[(3~{S})-2-(3-fluoranylpyrazin-2-yl)-3,4-dihydro-1~{H}-isoquinolin-3-yl]methyl]-1~{H}-indazole-4-carboxamide
FormulaC22 H19 F N6 O
Molecular Weight402.424
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Fc1nccnc1N1Cc2ccccc2CC1CNC(=O)c1cccc2[NH]ncc12
SMILESCACTVS3.385Fc1nccnc1N2Cc3ccccc3C[CH]2CNC(=O)c4cccc5[nH]ncc45
SMILESOpenEye OEToolkits2.0.7c1ccc2c(c1)CC(N(C2)c3c(nccn3)F)CNC(=O)c4cccc5c4cn[nH]5
Canonical SMILESCACTVS3.385 Fc1nccnc1N2Cc3ccccc3C[C@H]2CNC(=O)c4cccc5[nH]ncc45
Canonical SMILESOpenEye OEToolkits2.0.7 c1ccc2c(c1)C[C@H](N(C2)c3c(nccn3)F)CNC(=O)c4cccc5c4cn[nH]5
InChIInChI1.06 InChI=1S/C22H19FN6O/c23-20-21(25-9-8-24-20)29-13-15-5-2-1-4-14(15)10-16(29)11-26-22(30)17-6-3-7-19-18(17)12-27-28-19/h1-9,12,16H,10-11,13H2,(H,26,30)(H,27,28)/t16-/m0/s1
InChIKeyInChI1.06 GTHUQRDNWWDGLW-INIZCTEOSA-N