DVJ

N-[2-(2-hydroxyethyl)-3-{5-[(5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1,6-dihydropyridazin-3-yl}phenyl]-1-benzothiophene-2-carboxamide

Created: 2017-11-09
Last modified:  2018-11-07

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Chemical Details

Formal Charge0
Atom Count66
Chiral Atom Count0
Bond Count71
Aromatic Bond Count21
2D diagram of DVJ
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Chemical Component Summary

NameN-[2-(2-hydroxyethyl)-3-{5-[(5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1,6-dihydropyridazin-3-yl}phenyl]-1-benzothiophene-2-carboxamide
Systematic Name (OpenEye OEToolkits)~{N}-[2-(2-hydroxyethyl)-3-[5-[(5-methyl-6,7-dihydro-4~{H}-pyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxidanylidene-1~{H}-pyridazin-3-yl]phenyl]-1-benzothiophene-2-carboxamide
FormulaC28 H27 N7 O3 S
Molecular Weight541.624
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01C1CN(C)Cc2cc(nn12)NC3=CC(=NNC3=O)c4cccc(c4CCO)NC(=O)c6cc5ccccc5s6
SMILESCACTVS3.385CN1CCn2nc(NC3=CC(=NNC3=O)c4cccc(NC(=O)c5sc6ccccc6c5)c4CCO)cc2C1
SMILESOpenEye OEToolkits2.0.6CN1CCn2c(cc(n2)NC3=CC(=NNC3=O)c4cccc(c4CCO)NC(=O)c5cc6ccccc6s5)C1
Canonical SMILESCACTVS3.385 CN1CCn2nc(NC3=CC(=NNC3=O)c4cccc(NC(=O)c5sc6ccccc6c5)c4CCO)cc2C1
Canonical SMILESOpenEye OEToolkits2.0.6 CN1CCn2c(cc(n2)NC3=CC(=NNC3=O)c4cccc(c4CCO)NC(=O)c5cc6ccccc6s5)C1
InChIInChI1.03 InChI=1S/C28H27N7O3S/c1-34-10-11-35-18(16-34)14-26(33-35)29-23-15-22(31-32-27(23)37)19-6-4-7-21(20(19)9-12-36)30-28(38)25-13-17-5-2-3-8-24(17)39-25/h2-8,13-15,36H,9-12,16H2,1H3,(H,30,38)(H,32,37)(H,29,31,33)
InChIKeyInChI1.03 MFRXRCVCUQSDMP-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 46223982