7IQ

(5aS,8aR,9S)-2-[(3R)-3-methylmorpholin-4-yl]-5,5a,6,7,8,8a-hexahydro-4H-cyclopenta[e]pyrazolo[1,5-a]pyrazin-4-one

Created:	2021-08-12
Last modified:	2021-11-24

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1 entries where 7IQ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	40
Chiral Atom Count	3
Bond Count	43
Aromatic Bond Count	5

2D diagram of 7IQ

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Chemical Component Summary
Name	(5aS,8aR,9S)-2-[(3R)-3-methylmorpholin-4-yl]-5,5a,6,7,8,8a-hexahydro-4H-cyclopenta[e]pyrazolo[1,5-a]pyrazin-4-one
Systematic Name (OpenEye OEToolkits)	(2~{R},6~{S})-11-[(3~{R})-3-methylmorpholin-4-yl]-1,7,12-triazatricyclo[7.3.0.0^{2,6}]dodeca-9,11-dien-8-one
Formula	C₁₄ H₂₀ N₄ O₂
Molecular Weight	276.334
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C1NC2CCCC2n2nc(cc21)N1CCOCC1C
SMILES	CACTVS	3.385	C[CH]1COCCN1c2cc3n(n2)[CH]4CCC[CH]4NC3=O
SMILES	OpenEye OEToolkits	2.0.7	CC1COCCN1c2cc3n(n2)C4CCCC4NC3=O
Canonical SMILES	CACTVS	3.385	C[C@@H]1COCCN1c2cc3n(n2)[C@@H]4CCC[C@@H]4NC3=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	C[C@@H]1COCCN1c2cc3n(n2)[C@@H]4CCC[C@@H]4NC3=O
InChI	InChI	1.03	InChI=1S/C14H20N4O2/c1-9-8-20-6-5-17(9)13-7-12-14(19)15-10-3-2-4-11(10)18(12)16-13/h7,9-11H,2-6,8H2,1H3,(H,15,19)/t9-,10+,11-/m1/s1
InChIKey	InChI	1.03	LQBRZKIUSVUXJP-OUAUKWLOSA-N

Related Resource References

Resource Name	Reference
PubChem	157049304

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