4T3

2-(4-aminopiperidin-1-yl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine

Created:	2015-05-21
Last modified:	2015-07-01

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1 entries where 4T3 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	46
Chiral Atom Count	0
Bond Count	50
Aromatic Bond Count	15

2D diagram of 4T3

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Chemical Component Summary
Name	2-(4-aminopiperidin-1-yl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine
Systematic Name (OpenEye OEToolkits)	2-(4-azanylpiperidin-1-yl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)thieno[3,2-d]pyrimidin-4-amine
Formula	C₁₇ H₂₁ N₇ S
Molecular Weight	355.461
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c23c(nc(N1CCC(CC1)N)nc2ccs3)Nc5cc(C4CC4)nn5
SMILES	CACTVS	3.385	NC1CCN(CC1)c2nc(Nc3cc([nH]n3)C4CC4)c5sccc5n2
SMILES	OpenEye OEToolkits	1.9.2	c1csc2c1nc(nc2Nc3cc([nH]n3)C4CC4)N5CCC(CC5)N
Canonical SMILES	CACTVS	3.385	NC1CCN(CC1)c2nc(Nc3cc([nH]n3)C4CC4)c5sccc5n2
Canonical SMILES	OpenEye OEToolkits	1.9.2	c1csc2c1nc(nc2Nc3cc([nH]n3)C4CC4)N5CCC(CC5)N
InChI	InChI	1.03	InChI=1S/C17H21N7S/c18-11-3-6-24(7-4-11)17-19-12-5-8-25-15(12)16(21-17)20-14-9-13(22-23-14)10-1-2-10/h5,8-11H,1-4,6-7,18H2,(H2,19,20,21,22,23)
InChIKey	InChI	1.03	DNTNKJATBLJMII-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL3580949
PubChem	91809512
ChEMBL	CHEMBL3580949

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.