U7X

4-[4-[bis(fluoranyl)methoxy]phenyl]-3-cyclopropyl-6-(2-methylindazol-5-yl)-2~{H}-pyrazolo[4,3-b]pyridin-5-one

Created:	2023-08-30
Last modified:	2024-03-20

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1 entries where U7X is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	52
Chiral Atom Count	0
Bond Count	57
Aromatic Bond Count	21

2D diagram of U7X

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Chemical Component Summary
Name	4-[4-[bis(fluoranyl)methoxy]phenyl]-3-cyclopropyl-6-(2-methylindazol-5-yl)-2~{H}-pyrazolo[4,3-b]pyridin-5-one
Systematic Name (OpenEye OEToolkits)	4-[4-[bis(fluoranyl)methoxy]phenyl]-3-cyclopropyl-6-(2-methylindazol-5-yl)-2~{H}-pyrazolo[4,3-b]pyridin-5-one
Formula	C₂₄ H₁₉ F₂ N₅ O₂
Molecular Weight	447.437
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Cn1cc2cc(ccc2n1)C3=Cc4n[nH]c(C5CC5)c4N(C3=O)c6ccc(OC(F)F)cc6
SMILES	OpenEye OEToolkits	2.0.7	Cn1cc2cc(ccc2n1)C3=Cc4c(c([nH]n4)C5CC5)N(C3=O)c6ccc(cc6)OC(F)F
Canonical SMILES	CACTVS	3.385	Cn1cc2cc(ccc2n1)C3=Cc4n[nH]c(C5CC5)c4N(C3=O)c6ccc(OC(F)F)cc6
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cn1cc2cc(ccc2n1)C3=Cc4c(c([nH]n4)C5CC5)N(C3=O)c6ccc(cc6)OC(F)F
InChI	InChI	1.06	InChI=1S/C24H19F2N5O2/c1-30-12-15-10-14(4-9-19(15)29-30)18-11-20-22(21(28-27-20)13-2-3-13)31(23(18)32)16-5-7-17(8-6-16)33-24(25)26/h4-13,24H,2-3H2,1H3,(H,27,28)
InChIKey	InChI	1.06	QEASMQZYZCGOSA-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	170995115

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.