Q0E

4-azanyl-6-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]pyrimidine-5-carbonitrile

Created:	2020-05-04
Last modified:	2021-05-12

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1 entries where Q0E is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	32
Chiral Atom Count	0
Bond Count	34
Aromatic Bond Count	17

2D diagram of Q0E

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Chemical Component Summary
Name	4-azanyl-6-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]pyrimidine-5-carbonitrile
Systematic Name (OpenEye OEToolkits)	4-azanyl-6-[1-(pyridin-3-ylmethyl)pyrazol-4-yl]pyrimidine-5-carbonitrile
Formula	C₁₄ H₁₁ N₇
Molecular Weight	277.284
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Nc1ncnc(c2cnn(Cc3cccnc3)c2)c1C#N
SMILES	OpenEye OEToolkits	2.0.7	c1cc(cnc1)Cn2cc(cn2)c3c(c(ncn3)N)C#N
Canonical SMILES	CACTVS	3.385	Nc1ncnc(c2cnn(Cc3cccnc3)c2)c1C#N
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc(cnc1)Cn2cc(cn2)c3c(c(ncn3)N)C#N
InChI	InChI	1.03	InChI=1S/C14H11N7/c15-4-12-13(18-9-19-14(12)16)11-6-20-21(8-11)7-10-2-1-3-17-5-10/h1-3,5-6,8-9H,7H2,(H2,16,18,19)
InChIKey	InChI	1.03	CXHWYZDXLJBAJA-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	155907505

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.