362

2-(1H-pyrazol-4-yl)-7-(pyridin-3-yl)-5H-pyrrolo[2,3-b]pyrazine

Created:	2014-06-25
Last modified:	2023-09-14

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1 entries where 362 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	30
Chiral Atom Count	0
Bond Count	33
Aromatic Bond Count	21

2D diagram of 362

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Chemical Component Summary
Name	2-(1H-pyrazol-4-yl)-7-(pyridin-3-yl)-5H-pyrrolo[2,3-b]pyrazine
Systematic Name (OpenEye OEToolkits)	2-(1~{H}-pyrazol-4-yl)-7-pyridin-3-yl-5~{H}-pyrrolo[2,3-b]pyrazine
Formula	C₁₄ H₁₀ N₆
Molecular Weight	262.269
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n2c4c(c1cccnc1)cnc4ncc2c3cnnc3
SMILES	CACTVS	3.385	[nH]1cc(cn1)c2cnc3[nH]cc(c4cccnc4)c3n2
SMILES	OpenEye OEToolkits	2.0.7	c1cc(cnc1)c2c[nH]c3c2nc(cn3)c4c[nH]nc4
Canonical SMILES	CACTVS	3.385	[nH]1cc(cn1)c2cnc3[nH]cc(c4cccnc4)c3n2
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc(cnc1)c2c[nH]c3c2nc(cn3)c4c[nH]nc4
InChI	InChI	1.06	InChI=1S/C14H10N6/c1-2-9(4-15-3-1)11-7-16-14-13(11)20-12(8-17-14)10-5-18-19-6-10/h1-8H,(H,16,17)(H,18,19)
InChIKey	InChI	1.06	PSBXDBLDXUYIFG-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	90104994
ChEMBL	CHEMBL3628368

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.