I9W

2,2-dimethyl-N-[(6-methyl-5-{[2-(1-methyl-1H-pyrazol-4-yl)pyridin-4-yl]oxy}pyridin-2-yl)carbamoyl]propanamide

Created:2022-01-24
Last modified:  2022-08-24

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Chemical Details

Formal Charge0
Atom Count54
Chiral Atom Count0
Bond Count56
Aromatic Bond Count17
2D diagram of I9W
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Chemical Component Summary

Name2,2-dimethyl-N-[(6-methyl-5-{[2-(1-methyl-1H-pyrazol-4-yl)pyridin-4-yl]oxy}pyridin-2-yl)carbamoyl]propanamide
Systematic Name (OpenEye OEToolkits)2,2-dimethyl-~{N}-[[6-methyl-5-[2-(1-methylpyrazol-4-yl)pyridin-4-yl]oxy-pyridin-2-yl]carbamoyl]propanamide
FormulaC21 H24 N6 O3
Molecular Weight408.454
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Cn1cc(cn1)c1nccc(Oc2ccc(NC(=O)NC(=O)C(C)(C)C)nc2C)c1
SMILESCACTVS3.385Cn1cc(cn1)c2cc(Oc3ccc(NC(=O)NC(=O)C(C)(C)C)nc3C)ccn2
SMILESOpenEye OEToolkits2.0.7Cc1c(ccc(n1)NC(=O)NC(=O)C(C)(C)C)Oc2ccnc(c2)c3cnn(c3)C
Canonical SMILESCACTVS3.385 Cn1cc(cn1)c2cc(Oc3ccc(NC(=O)NC(=O)C(C)(C)C)nc3C)ccn2
Canonical SMILESOpenEye OEToolkits2.0.7 Cc1c(ccc(n1)NC(=O)NC(=O)C(C)(C)C)Oc2ccnc(c2)c3cnn(c3)C
InChIInChI1.03 InChI=1S/C21H24N6O3/c1-13-17(6-7-18(24-13)25-20(29)26-19(28)21(2,3)4)30-15-8-9-22-16(10-15)14-11-23-27(5)12-14/h6-12H,1-5H3,(H2,24,25,26,28,29)
InChIKeyInChI1.03 WYLCQKJYTVNVCY-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 86270079