A1IDF

~{N}-(1,4-dimethylpyrazol-3-yl)-3-pyridin-4-yl-thieno[3,2-b]pyridin-5-amine

Created:	2024-06-05
Last modified:	2024-09-11

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1 entries where A1IDF is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	38
Chiral Atom Count	0
Bond Count	41
Aromatic Bond Count	21

2D diagram of A1IDF

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Chemical Component Summary
Name	~{N}-(1,4-dimethylpyrazol-3-yl)-3-pyridin-4-yl-thieno[3,2-b]pyridin-5-amine
Systematic Name (OpenEye OEToolkits)	~{N}-(1,4-dimethylpyrazol-3-yl)-3-pyridin-4-yl-thieno[3,2-b]pyridin-5-amine
Formula	C₁₇ H₁₅ N₅ S
Molecular Weight	321.4
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Cn1cc(C)c(Nc2ccc3scc(c4ccncc4)c3n2)n1
SMILES	OpenEye OEToolkits	2.0.7	Cc1cn(nc1Nc2ccc3c(n2)c(cs3)c4ccncc4)C
Canonical SMILES	CACTVS	3.385	Cn1cc(C)c(Nc2ccc3scc(c4ccncc4)c3n2)n1
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1cn(nc1Nc2ccc3c(n2)c(cs3)c4ccncc4)C
InChI	InChI	1.06	InChI=1S/C17H15N5S/c1-11-9-22(2)21-17(11)20-15-4-3-14-16(19-15)13(10-23-14)12-5-7-18-8-6-12/h3-10H,1-2H3,(H,19,20,21)
InChIKey	InChI	1.06	WEAHBTIIZJSGDN-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	171934759

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