Q1I

(3P)-6-cyclopentyl-N,5-dimethyl-4-phenyl-N-(propan-2-yl)-3-(1H-tetrazol-5-yl)pyridin-2-amine

Created:	2023-05-05
Last modified:	2023-06-14

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3 entries where Q1I is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	56
Chiral Atom Count	0
Bond Count	59
Aromatic Bond Count	17

2D diagram of Q1I

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Chemical Component Summary
Name	(3P)-6-cyclopentyl-N,5-dimethyl-4-phenyl-N-(propan-2-yl)-3-(1H-tetrazol-5-yl)pyridin-2-amine
Systematic Name (OpenEye OEToolkits)	6-cyclopentyl-~{N},5-dimethyl-4-phenyl-~{N}-propan-2-yl-3-(1~{H}-1,2,3,4-tetrazol-5-yl)pyridin-2-amine
Formula	C₂₂ H₂₈ N₆
Molecular Weight	376.498
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	CC(C)N(C)c1nc(C2CCCC2)c(C)c(c1c1nnn[NH]1)c1ccccc1
SMILES	CACTVS	3.385	CC(C)N(C)c1nc(C2CCCC2)c(C)c(c3ccccc3)c1c4[nH]nnn4
SMILES	OpenEye OEToolkits	2.0.7	Cc1c(c(c(nc1C2CCCC2)N(C)C(C)C)c3[nH]nnn3)c4ccccc4
Canonical SMILES	CACTVS	3.385	CC(C)N(C)c1nc(C2CCCC2)c(C)c(c3ccccc3)c1c4[nH]nnn4
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1c(c(c(nc1C2CCCC2)N(C)C(C)C)c3[nH]nnn3)c4ccccc4
InChI	InChI	1.06	InChI=1S/C22H28N6/c1-14(2)28(4)22-19(21-24-26-27-25-21)18(16-10-6-5-7-11-16)15(3)20(23-22)17-12-8-9-13-17/h5-7,10-11,14,17H,8-9,12-13H2,1-4H3,(H,24,25,26,27)
InChIKey	InChI	1.06	MCQOBJKNIOQORB-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	168300854

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