7G8

4-[4-[[5-fluoranyl-4-[[3-(propanoylamino)phenyl]amino]pyrimidin-2-yl]amino]phenoxy]-~{N}-methyl-pyridine-2-carboxamide

Created:	2016-10-19
Last modified:	2024-09-27

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1 entries where 7G8 is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	61
Chiral Atom Count	0
Bond Count	64
Aromatic Bond Count	24

2D diagram of 7G8

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Chemical Component Summary
Name	4-[4-[[5-fluoranyl-4-[[3-(propanoylamino)phenyl]amino]pyrimidin-2-yl]amino]phenoxy]-~{N}-methyl-pyridine-2-carboxamide
Systematic Name (OpenEye OEToolkits)	4-[4-[[5-fluoranyl-4-[[3-(propanoylamino)phenyl]amino]pyrimidin-2-yl]amino]phenoxy]-~{N}-methyl-pyridine-2-carboxamide
Formula	C₂₆ H₂₄ F N₇ O₃
Molecular Weight	501.512
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CCC(=O)Nc1cccc(Nc2nc(Nc3ccc(Oc4ccnc(c4)C(=O)NC)cc3)ncc2F)c1
SMILES	OpenEye OEToolkits	2.0.6	CCC(=O)Nc1cccc(c1)Nc2c(cnc(n2)Nc3ccc(cc3)Oc4ccnc(c4)C(=O)NC)F
Canonical SMILES	CACTVS	3.385	CCC(=O)Nc1cccc(Nc2nc(Nc3ccc(Oc4ccnc(c4)C(=O)NC)cc3)ncc2F)c1
Canonical SMILES	OpenEye OEToolkits	2.0.6	CCC(=O)Nc1cccc(c1)Nc2c(cnc(n2)Nc3ccc(cc3)Oc4ccnc(c4)C(=O)NC)F
InChI	InChI	1.03	InChI=1S/C26H24FN7O3/c1-3-23(35)31-17-5-4-6-18(13-17)32-24-21(27)15-30-26(34-24)33-16-7-9-19(10-8-16)37-20-11-12-29-22(14-20)25(36)28-2/h4-15H,3H2,1-2H3,(H,28,36)(H,31,35)(H2,30,32,33,34)
InChIKey	InChI	1.03	JTYHXYSMSXOMLI-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	89658869

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