769

5-(4-fluorophenyl)-2,3-dihydroxy-N-[(E)-5-pyrrolo[3,2-c]pyridin-1-ylpent-3-enyl]benzamide

Created:	2016-09-02
Last modified:	2021-03-13

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1 entries where 769 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	54
Chiral Atom Count	0
Bond Count	57
Aromatic Bond Count	22

2D diagram of 769

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Chemical Component Summary
Name	5-(4-fluorophenyl)-2,3-dihydroxy-N-[(E)-5-pyrrolo[3,2-c]pyridin-1-ylpent-3-enyl]benzamide
Synonyms	4'-fluoro-4,5-dihydroxy-N-[(3E)-5-(1H-pyrrolo[3,2-c]pyridin-1-yl)pent-3-en-1-yl][1,1'-biphenyl]-3-carboxamide
Systematic Name (OpenEye OEToolkits)	5-(4-fluorophenyl)-2,3-bis(oxidanyl)-~{N}-[(~{E})-5-pyrrolo[3,2-c]pyridin-1-ylpent-3-enyl]benzamide
Formula	C₂₅ H₂₂ F N₃ O₃
Molecular Weight	431.459
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c4c(c1cc(c(O)c(c1)O)C(NCC\C=C\Cn2c3c(cc2)cncc3)=O)ccc(c4)F
SMILES	CACTVS	3.385	Oc1cc(cc(c1O)C(=O)NCCC=CCn2ccc3cnccc23)c4ccc(F)cc4
SMILES	OpenEye OEToolkits	2.0.5	c1cc(ccc1c2cc(c(c(c2)O)O)C(=O)NCCC=CCn3ccc4c3ccnc4)F
Canonical SMILES	CACTVS	3.385	Oc1cc(cc(c1O)C(=O)NCC\C=C\Cn2ccc3cnccc23)c4ccc(F)cc4
Canonical SMILES	OpenEye OEToolkits	2.0.5	c1cc(ccc1c2cc(c(c(c2)O)O)C(=O)NCC/C=C/Cn3ccc4c3ccnc4)F
InChI	InChI	1.03	InChI=1S/C25H22FN3O3/c26-20-6-4-17(5-7-20)19-14-21(24(31)23(30)15-19)25(32)28-10-2-1-3-12-29-13-9-18-16-27-11-8-22(18)29/h1,3-9,11,13-16,30-31H,2,10,12H2,(H,28,32)/b3-1+
InChIKey	InChI	1.03	MYCHLIVPJDYHPD-HNQUOIGGSA-N

Related Resource References

Resource Name	Reference
PubChem	129900120

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