0KF

N-[3-({2-[(cyclopropylcarbonyl)amino]imidazo[1,2-b]pyridazin-6-yl}oxy)phenyl]-1,3-dimethyl-1H-pyrazole-5-carboxamide

Created: 2012-02-02
Last modified:  2013-03-06

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Chemical Details

Formal Charge0
Atom Count53
Chiral Atom Count0
Bond Count57
Aromatic Bond Count21
2D diagram of 0KF
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Chemical Component Summary

NameN-[3-({2-[(cyclopropylcarbonyl)amino]imidazo[1,2-b]pyridazin-6-yl}oxy)phenyl]-1,3-dimethyl-1H-pyrazole-5-carboxamide
Systematic Name (OpenEye OEToolkits)N-[3-[2-(cyclopropylcarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-2,5-dimethyl-pyrazole-3-carboxamide
FormulaC22 H21 N7 O3
Molecular Weight431.447
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01O=C(c1cc(nn1C)C)Nc5cccc(Oc2nn3cc(nc3cc2)NC(=O)C4CC4)c5
SMILESCACTVS3.370Cn1nc(C)cc1C(=O)Nc2cccc(Oc3ccc4nc(NC(=O)C5CC5)cn4n3)c2
SMILESOpenEye OEToolkits1.7.6Cc1cc(n(n1)C)C(=O)Nc2cccc(c2)Oc3ccc4nc(cn4n3)NC(=O)C5CC5
Canonical SMILESCACTVS3.370 Cn1nc(C)cc1C(=O)Nc2cccc(Oc3ccc4nc(NC(=O)C5CC5)cn4n3)c2
Canonical SMILESOpenEye OEToolkits1.7.6 Cc1cc(n(n1)C)C(=O)Nc2cccc(c2)Oc3ccc4nc(cn4n3)NC(=O)C5CC5
InChIInChI1.03 InChI=1S/C22H21N7O3/c1-13-10-17(28(2)26-13)22(31)23-15-4-3-5-16(11-15)32-20-9-8-19-24-18(12-29(19)27-20)25-21(30)14-6-7-14/h3-5,8-12,14H,6-7H2,1-2H3,(H,23,31)(H,25,30)
InChIKeyInChI1.03 IFFBOVLYGJAFKB-UHFFFAOYSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL2348996
PubChem 57505507
ChEMBL CHEMBL2348996