U8R

4-[4-[bis(fluoranyl)methoxy]phenyl]-3-cyclopropyl-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 U8R is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	36
Chiral Atom Count	0
Bond Count	39
Aromatic Bond Count	11

2D diagram of U8R

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Chemical Component Summary
Name	4-[4-[bis(fluoranyl)methoxy]phenyl]-3-cyclopropyl-2~{H}-pyrazolo[4,3-b]pyridin-5-one
Systematic Name (OpenEye OEToolkits)	4-[4-[bis(fluoranyl)methoxy]phenyl]-3-cyclopropyl-2~{H}-pyrazolo[4,3-b]pyridin-5-one
Formula	C₁₆ H₁₃ F₂ N₃ O₂
Molecular Weight	317.29
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	FC(F)Oc1ccc(cc1)N2C(=O)C=Cc3n[nH]c(C4CC4)c23
SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1N2c3c(n[nH]c3C4CC4)C=CC2=O)OC(F)F
Canonical SMILES	CACTVS	3.385	FC(F)Oc1ccc(cc1)N2C(=O)C=Cc3n[nH]c(C4CC4)c23
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1N2c3c(n[nH]c3C4CC4)C=CC2=O)OC(F)F
InChI	InChI	1.06	InChI=1S/C16H13F2N3O2/c17-16(18)23-11-5-3-10(4-6-11)21-13(22)8-7-12-15(21)14(20-19-12)9-1-2-9/h3-9,16H,1-2H2,(H,19,20)
InChIKey	InChI	1.06	DBMHKPKFMPEIGT-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	170995113

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