NK0

3-[(6-benzoyl-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-N-cyclopropyl-4-methylbenzamide

Created:2011-06-02
Last modified:  2011-06-04

Find related ligands:

Chemical Details

Formal Charge0
Atom Count55
Chiral Atom Count0
Bond Count59
Aromatic Bond Count22
2D diagram of NK0

Chemical Component Summary

Name3-[(6-benzoyl-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-N-cyclopropyl-4-methylbenzamide
Systematic Name (OpenEye OEToolkits)N-cyclopropyl-4-methyl-3-[[5-methyl-6-(phenylcarbonyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]benzamide
FormulaC25 H23 N5 O2
Molecular Weight425.482
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(NC1CC1)c2cc(c(cc2)C)Nc3ncnn4cc(c(c34)C)C(=O)c5ccccc5
SMILESCACTVS3.370Cc1ccc(cc1Nc2ncnn3cc(c(C)c23)C(=O)c4ccccc4)C(=O)NC5CC5
SMILESOpenEye OEToolkits1.7.2Cc1ccc(cc1Nc2c3c(c(cn3ncn2)C(=O)c4ccccc4)C)C(=O)NC5CC5
Canonical SMILESCACTVS3.370 Cc1ccc(cc1Nc2ncnn3cc(c(C)c23)C(=O)c4ccccc4)C(=O)NC5CC5
Canonical SMILESOpenEye OEToolkits1.7.2 Cc1ccc(cc1Nc2c3c(c(cn3ncn2)C(=O)c4ccccc4)C)C(=O)NC5CC5
InChIInChI1.03 InChI=1S/C25H23N5O2/c1-15-8-9-18(25(32)28-19-10-11-19)12-21(15)29-24-22-16(2)20(13-30(22)27-14-26-24)23(31)17-6-4-3-5-7-17/h3-9,12-14,19H,10-11H2,1-2H3,(H,28,32)(H,26,27,29)
InChIKeyInChI1.03 CQPNJQRTSADQCI-UHFFFAOYSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL1807446
PubChem 10048045
ChEMBL CHEMBL1807446