Q0Q

4-azanyl-6-[1-[(1~{R})-1-phenylethyl]pyrazol-4-yl]pyrimidine-5-carbonitrile

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

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1 entries where Q0Q is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	36
Chiral Atom Count	1
Bond Count	38
Aromatic Bond Count	17

2D diagram of Q0Q

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Chemical Component Summary
Name	4-azanyl-6-[1-[(1~{R})-1-phenylethyl]pyrazol-4-yl]pyrimidine-5-carbonitrile
Systematic Name (OpenEye OEToolkits)	4-azanyl-6-[1-[(1~{R})-1-phenylethyl]pyrazol-4-yl]pyrimidine-5-carbonitrile
Formula	C₁₆ H₁₄ N₆
Molecular Weight	290.323
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	C[CH](n1cc(cn1)c2ncnc(N)c2C#N)c3ccccc3
SMILES	OpenEye OEToolkits	2.0.7	CC(c1ccccc1)n2cc(cn2)c3c(c(ncn3)N)C#N
Canonical SMILES	CACTVS	3.385	C[C@@H](n1cc(cn1)c2ncnc(N)c2C#N)c3ccccc3
Canonical SMILES	OpenEye OEToolkits	2.0.7	C[C@H](c1ccccc1)n2cc(cn2)c3c(c(ncn3)N)C#N
InChI	InChI	1.03	InChI=1S/C16H14N6/c1-11(12-5-3-2-4-6-12)22-9-13(8-21-22)15-14(7-17)16(18)20-10-19-15/h2-6,8-11H,1H3,(H2,18,19,20)/t11-/m1/s1
InChIKey	InChI	1.03	YHDDGKWKOCFLDB-LLVKDONJSA-N

Related Resource References

Resource Name	Reference
PubChem	155907507

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.