KRK

3-[2-[(3~{S})-3-fluoranylpyrrolidin-1-yl]pyrimidin-4-yl]pyrazolo[1,5-b]pyridazine

Created:	2019-06-19
Last modified:	2019-06-26

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1 entries where KRK is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	34
Chiral Atom Count	1
Bond Count	37
Aromatic Bond Count	16

2D diagram of KRK

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Chemical Component Summary
Name	3-[2-[(3~{S})-3-fluoranylpyrrolidin-1-yl]pyrimidin-4-yl]pyrazolo[1,5-b]pyridazine
Systematic Name (OpenEye OEToolkits)	3-[2-[(3~{S})-3-fluoranylpyrrolidin-1-yl]pyrimidin-4-yl]pyrazolo[1,5-b]pyridazine
Formula	C₁₄ H₁₃ F N₆
Molecular Weight	284.292
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	F[CH]1CCN(C1)c2nccc(n2)c3cnn4ncccc34
SMILES	OpenEye OEToolkits	2.0.7	c1cc2c(cnn2nc1)c3ccnc(n3)N4CCC(C4)F
Canonical SMILES	CACTVS	3.385	F[C@H]1CCN(C1)c2nccc(n2)c3cnn4ncccc34
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc2c(cnn2nc1)c3ccnc(n3)N4CC[C@@H](C4)F
InChI	InChI	1.03	InChI=1S/C14H13FN6/c15-10-4-7-20(9-10)14-16-6-3-12(19-14)11-8-18-21-13(11)2-1-5-17-21/h1-3,5-6,8,10H,4,7,9H2/t10-/m0/s1
InChIKey	InChI	1.03	CTKSUQYBSSCMMB-JTQLQIEISA-N

Related Resource References

Resource Name	Reference
PubChem	138454306

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