QVO

2-[4-(3-chlorophenyl)-2,5-bis(oxidanylidene)pyrrolo[3,4-b]pyridin-1-yl]-~{N}-[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]ethanamide

Created: 2022-11-15
Last modified:  2023-09-13

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Chemical Details

Formal Charge0
Atom Count47
Chiral Atom Count0
Bond Count51
Aromatic Bond Count17
2D diagram of QVO
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Chemical Component Summary

Name2-[4-(3-chlorophenyl)-2,5-bis(oxidanylidene)pyrrolo[3,4-b]pyridin-1-yl]-~{N}-[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]ethanamide
Systematic Name (OpenEye OEToolkits)2-[4-(3-chlorophenyl)-2,5-bis(oxidanylidene)pyrrolo[3,4-b]pyridin-1-yl]-~{N}-[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]ethanamide
FormulaC22 H14 Cl N7 O3
Molecular Weight459.845
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385Clc1cccc(c1)C2=CC(=O)N(CC(=O)Nc3ccc(cc3)c4[nH]nnn4)C5=C2C(=O)N=C5
SMILESOpenEye OEToolkits3.1.0.0c1cc(cc(c1)Cl)C2=CC(=O)N(C3=C2C(=O)N=C3)CC(=O)Nc4ccc(cc4)c5[nH]nnn5
Canonical SMILESCACTVS3.385 Clc1cccc(c1)C2=CC(=O)N(CC(=O)Nc3ccc(cc3)c4[nH]nnn4)C5=C2C(=O)N=C5
Canonical SMILESOpenEye OEToolkits3.1.0.0 c1cc(cc(c1)Cl)C2=CC(=O)N(C3=C2C(=O)N=C3)CC(=O)Nc4ccc(cc4)c5[nH]nnn5
InChIInChI1.06 InChI=1S/C22H14ClN7O3/c23-14-3-1-2-13(8-14)16-9-19(32)30(17-10-24-22(33)20(16)17)11-18(31)25-15-6-4-12(5-7-15)21-26-28-29-27-21/h1-10H,11H2,(H,25,31)(H,26,27,28,29)
InChIKeyInChI1.06 CVJXJRQOGUBNPR-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 168477807