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Summary Geometry Related PDB entries

19S

Summary

Name:	2-cyclopropyl-N-[(2R)-1-oxo-1-(piperidin-1-yl)propan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
Formula:	C18 H23 N5 O2
Formal charge:	0
Formula weight:	341.408 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	2-cyclopropyl-N-[(2R)-1-oxo-1-(piperidin-1-yl)propan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
OpenEye OEToolkits	1.7.6	2-cyclopropyl-N-[(2R)-1-oxidanylidene-1-piperidin-1-yl-propan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(N1CCCCC1)C(NC(=O)c3c2nc(cnc2nc3)C4CC4)C
InChI	InChI	1.03	InChI=1S/C18H23N5O2/c1-11(18(25)23-7-3-2-4-8-23)21-17(24)13-9-19-16-15(13)22-14(10-20-16)12-5-6-12/h9-12H,2-8H2,1H3,(H,19,20)(H,21,24)/t11-/m1/s1
InChIKey	InChI	1.03	STEKXUJMQOKLQV-LLVKDONJSA-N
SMILES_CANONICAL	CACTVS	3.370	C[C@@H](NC(=O)c1c[nH]c2ncc(nc12)C3CC3)C(=O)N4CCCCC4
SMILES	CACTVS	3.370	C[CH](NC(=O)c1c[nH]c2ncc(nc12)C3CC3)C(=O)N4CCCCC4
SMILES_CANONICAL	OpenEye OEToolkits	1.7.6	C[C@H](C(=O)N1CCCCC1)NC(=O)c2c[nH]c3c2nc(cn3)C4CC4
SMILES	OpenEye OEToolkits	1.7.6	CC(C(=O)N1CCCCC1)NC(=O)c2c[nH]c3c2nc(cn3)C4CC4

219140

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