QIH

1-[7-[[2-[[4-(4-ethylpiperazin-1-yl)phenyl]amino]pyridin-4-yl]amino]-2,3-dihydroindol-1-yl]ethanone

Created:	2022-10-31
Last modified:	2023-01-18

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1 entries where QIH is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	66
Chiral Atom Count	0
Bond Count	70
Aromatic Bond Count	18

2D diagram of QIH

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Chemical Component Summary
Name	1-[7-[[2-[[4-(4-ethylpiperazin-1-yl)phenyl]amino]pyridin-4-yl]amino]-2,3-dihydroindol-1-yl]ethanone
Systematic Name (OpenEye OEToolkits)	1-[7-[[2-[[4-(4-ethylpiperazin-1-yl)phenyl]amino]pyridin-4-yl]amino]-2,3-dihydroindol-1-yl]ethanone
Formula	C₂₇ H₃₂ N₆ O
Molecular Weight	456.583
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CCN1CCN(CC1)c2ccc(Nc3cc(Nc4cccc5CCN(C(C)=O)c45)ccn3)cc2
SMILES	OpenEye OEToolkits	3.1.0.0	CCN1CCN(CC1)c2ccc(cc2)Nc3cc(ccn3)Nc4cccc5c4N(CC5)C(=O)C
Canonical SMILES	CACTVS	3.385	CCN1CCN(CC1)c2ccc(Nc3cc(Nc4cccc5CCN(C(C)=O)c45)ccn3)cc2
Canonical SMILES	OpenEye OEToolkits	3.1.0.0	CCN1CCN(CC1)c2ccc(cc2)Nc3cc(ccn3)Nc4cccc5c4N(CC5)C(=O)C
InChI	InChI	1.06	InChI=1S/C27H32N6O/c1-3-31-15-17-32(18-16-31)24-9-7-22(8-10-24)30-26-19-23(11-13-28-26)29-25-6-4-5-21-12-14-33(20(2)34)27(21)25/h4-11,13,19H,3,12,14-18H2,1-2H3,(H2,28,29,30)
InChIKey	InChI	1.06	RPOHONUDGBSZDK-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	166451134

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