19Q

2-cyclopropyl-N-[(2S)-3-hydroxy-3-methylbutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

Created:	2012-11-12
Last modified:	2013-01-11

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1 entries where 19Q is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	41
Chiral Atom Count	1
Bond Count	43
Aromatic Bond Count	10

2D diagram of 19Q

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Chemical Component Summary
Name	2-cyclopropyl-N-[(2S)-3-hydroxy-3-methylbutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
Systematic Name (OpenEye OEToolkits)	2-cyclopropyl-N-[(2S)-3-methyl-3-oxidanyl-butan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
Formula	C₁₅ H₂₀ N₄ O₂
Molecular Weight	288.345
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(c2c1nc(cnc1nc2)C3CC3)NC(C)C(O)(C)C
SMILES	CACTVS	3.370	C[CH](NC(=O)c1c[nH]c2ncc(nc12)C3CC3)C(C)(C)O
SMILES	OpenEye OEToolkits	1.7.6	CC(C(C)(C)O)NC(=O)c1c[nH]c2c1nc(cn2)C3CC3
Canonical SMILES	CACTVS	3.370	C[C@H](NC(=O)c1c[nH]c2ncc(nc12)C3CC3)C(C)(C)O
Canonical SMILES	OpenEye OEToolkits	1.7.6	C[C@@H](C(C)(C)O)NC(=O)c1c[nH]c2c1nc(cn2)C3CC3
InChI	InChI	1.03	InChI=1S/C15H20N4O2/c1-8(15(2,3)21)18-14(20)10-6-16-13-12(10)19-11(7-17-13)9-4-5-9/h6-9,21H,4-5H2,1-3H3,(H,16,17)(H,18,20)/t8-/m0/s1
InChIKey	InChI	1.03	ODYYFDDUIDLRBK-QMMMGPOBSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL2325904
PubChem	44192904
ChEMBL	CHEMBL2325904

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.