WF7

N-{4-[(E)-2-{4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl}ethenyl]phenyl}prop-2-enamide

Created:	2020-10-26
Last modified:	2024-09-27

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1 entries where WF7 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	17

2D diagram of WF7

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Chemical Component Summary
Name	N-{4-[(E)-2-{4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl}ethenyl]phenyl}prop-2-enamide
Systematic Name (OpenEye OEToolkits)	~{N}-[4-[(~{E})-2-[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1~{H}-pyrazol-3-yl)amino]pyrimidin-2-yl]ethenyl]phenyl]prop-2-enamide
Formula	C₂₄ H₂₈ N₈ O
Molecular Weight	444.532
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n4c(C)cc(Nc3cc(N1CCN(C)CC1)nc([C@H]=[C@H]c2ccc(cc2)NC(=O)/C=C)n3)n4
SMILES	CACTVS	3.385	CN1CCN(CC1)c2cc(Nc3cc(C)[nH]n3)nc(C=Cc4ccc(NC(=O)C=C)cc4)n2
SMILES	OpenEye OEToolkits	2.0.7	Cc1cc(n[nH]1)Nc2cc(nc(n2)C=Cc3ccc(cc3)NC(=O)C=C)N4CCN(CC4)C
Canonical SMILES	CACTVS	3.385	CN1CCN(CC1)c2cc(Nc3cc(C)[nH]n3)nc(\C=C\c4ccc(NC(=O)C=C)cc4)n2
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1cc(n[nH]1)Nc2cc(nc(n2)/C=C/c3ccc(cc3)NC(=O)C=C)N4CCN(CC4)C
InChI	InChI	1.03	InChI=1S/C24H28N8O/c1-4-24(33)25-19-8-5-18(6-9-19)7-10-20-26-21(27-22-15-17(2)29-30-22)16-23(28-20)32-13-11-31(3)12-14-32/h4-10,15-16H,1,11-14H2,2-3H3,(H,25,33)(H2,26,27,28,29,30)/b10-7+
InChIKey	InChI	1.03	YSDWTPVGKQWXNG-JXMROGBWSA-N

Related Resource References

Resource Name	Reference
PubChem	155804588

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