A1EJX

4-[7-azanyl-8-(7-fluoranyl-1H-indazol-4-yl)-6-oxidanylidene-5H-1,5-naphthyridin-3-yl]-N,N-dimethyl-benzamide

Created:	2025-01-17
Last modified:	2025-05-14

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Chemical Details
Formal Charge	0
Atom Count	52
Chiral Atom Count	0
Bond Count	56
Aromatic Bond Count	22

2D diagram of A1EJX

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Chemical Component Summary
Name	4-[7-azanyl-8-(7-fluoranyl-1H-indazol-4-yl)-6-oxidanylidene-5H-1,5-naphthyridin-3-yl]-N,N-dimethyl-benzamide
Systematic Name (OpenEye OEToolkits)	4-[7-azanyl-8-(7-fluoranyl-1~{H}-indazol-4-yl)-6-oxidanylidene-5~{H}-1,5-naphthyridin-3-yl]-~{N},~{N}-dimethyl-benzamide
Formula	C₂₄ H₁₉ F N₆ O₂
Molecular Weight	442.445
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CN(C)C(=O)c1ccc(cc1)c2cnc3c(NC(=O)C(=C3c4ccc(F)c5[nH]ncc45)N)c2
SMILES	OpenEye OEToolkits	2.0.7	CN(C)C(=O)c1ccc(cc1)c2cc3c(nc2)C(=C(C(=O)N3)N)c4ccc(c5c4cn[nH]5)F
Canonical SMILES	CACTVS	3.385	CN(C)C(=O)c1ccc(cc1)c2cnc3c(NC(=O)C(=C3c4ccc(F)c5[nH]ncc45)N)c2
Canonical SMILES	OpenEye OEToolkits	2.0.7	CN(C)C(=O)c1ccc(cc1)c2cc3c(nc2)C(=C(C(=O)N3)N)c4ccc(c5c4cn[nH]5)F
InChI	InChI	1.06	InChI=1S/C24H19FN6O2/c1-31(2)24(33)13-5-3-12(4-6-13)14-9-18-22(27-10-14)19(20(26)23(32)29-18)15-7-8-17(25)21-16(15)11-28-30-21/h3-11H,26H2,1-2H3,(H,28,30)(H,29,32)
InChIKey	InChI	1.06	GQHFJDVSIFLECJ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	172291704

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