JAK

2-methyl-1-(piperidin-4-yl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine

Created:	2012-04-10
Last modified:	2012-04-10

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2 entries where JAK is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	36
Chiral Atom Count	0
Bond Count	39
Aromatic Bond Count	14

2D diagram of JAK

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Chemical Component Summary
Name	2-methyl-1-(piperidin-4-yl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine
Systematic Name (OpenEye OEToolkits)	n/a
Formula	C₁₄ H₁₇ N₅
Molecular Weight	255.318
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n4c1nccc1c2c(nc(n2C3CCNCC3)C)c4
SMILES	CACTVS	3.370	Cc1nc2cnc3[nH]ccc3c2n1C4CCNCC4
SMILES	OpenEye OEToolkits	1.7.6	Cc1nc2cnc3c(c2n1C4CCNCC4)cc[nH]3
Canonical SMILES	CACTVS	3.370	Cc1nc2cnc3[nH]ccc3c2n1C4CCNCC4
Canonical SMILES	OpenEye OEToolkits	1.7.6	Cc1nc2cnc3c(c2n1C4CCNCC4)cc[nH]3
InChI	InChI	1.03	InChI=1S/C14H17N5/c1-9-18-12-8-17-14-11(4-7-16-14)13(12)19(9)10-2-5-15-6-3-10/h4,7-8,10,15H,2-3,5-6H2,1H3,(H,16,17)
InChIKey	InChI	1.03	XTQACRIFOIASKV-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL2159141
PubChem	57339437
ChEMBL	CHEMBL2159141

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