WAU

7-(cyclopropylamino)-5-[[2-(1,2,4-triazol-4-yl)pyridin-4-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile

Created:	2023-05-10
Last modified:	2023-06-21

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1 entries where WAU is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	41
Chiral Atom Count	0
Bond Count	45
Aromatic Bond Count	21

2D diagram of WAU

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Chemical Component Summary
Name	7-(cyclopropylamino)-5-[[2-(1,2,4-triazol-4-yl)pyridin-4-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
Systematic Name (OpenEye OEToolkits)	7-(cyclopropylamino)-5-[[2-(1,2,4-triazol-4-yl)pyridin-4-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
Formula	C₁₇ H₁₄ N₁₀
Molecular Weight	358.36
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	N#Cc1cnn2c(NC3CC3)cc(Nc4ccnc(c4)n5cnnc5)nc12
SMILES	OpenEye OEToolkits	2.0.7	c1cnc(cc1Nc2cc(n3c(n2)c(cn3)C#N)NC4CC4)n5cnnc5
Canonical SMILES	CACTVS	3.385	N#Cc1cnn2c(NC3CC3)cc(Nc4ccnc(c4)n5cnnc5)nc12
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cnc(cc1Nc2cc(n3c(n2)c(cn3)C#N)NC4CC4)n5cnnc5
InChI	InChI	1.06	InChI=1S/C17H14N10/c18-7-11-8-22-27-16(24-12-1-2-12)6-14(25-17(11)27)23-13-3-4-19-15(5-13)26-9-20-21-10-26/h3-6,8-10,12,24H,1-2H2,(H,19,23,25)
InChIKey	InChI	1.06	ZJVFPYPVBVBLGY-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	168301732

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