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Also known as: 1914078-41-3, Ecf-506, Tert-butyl (4-(4-amino-1-(2-(4-(dimethylamino)piperidin-1-yl)ethyl)-1h-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl)carbamate, Chembl3824089, Derivative 11a [pmid: 27115835], Tert-butyl n-[4-[4-amino-1-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl]carbamate

Molecular Formula

C₂₆H₃₈N₈O₃

Molecular Weight

510.6 g/mol

InChI Key

GMPQGWXPDRNCBL-UHFFFAOYSA-N

1 2D Structure

NXP900

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

tert-butyl N-[4-[4-amino-1-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl]carbamate

2.1.2 InChI

InChI=1S/C26H38N8O3/c1-26(2,3)37-25(35)30-19-8-7-17(15-20(19)36-6)22-21-23(27)28-16-29-24(21)34(31-22)14-13-33-11-9-18(10-12-33)32(4)5/h7-8,15-16,18H,9-14H2,1-6H3,(H,30,35)(H2,27,28,29)

2.1.3 InChI Key

GMPQGWXPDRNCBL-UHFFFAOYSA-N

2.2 Synonyms

2.2.1 MeSH Synonyms

1. Ecf506 Compound

2. Tert-butyl (4-(4-amino-1-(2-(4-(dimethylamino)piperidin-1-yl)ethyl)-1h-pyrazolo(3,4-d)pyrimidin-3-yl)-2-methoxyphenyl)carbamate

2.2.2 Depositor-Supplied Synonyms

1. 1914078-41-3

2. Ecf-506

3. Tert-butyl (4-(4-amino-1-(2-(4-(dimethylamino)piperidin-1-yl)ethyl)-1h-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl)carbamate

4. Chembl3824089

5. Derivative 11a [pmid: 27115835]

6. Tert-butyl N-[4-[4-amino-1-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl]carbamate

7. Derivative 11a (pmid: 27115835)

8. Tert-butyl N-[4-(4-amino-1-{2-[4-(dimethylamino)piperidin-1-yl]ethyl}-1h-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl]carbamate

9. Derivative 11a

10. Tert-butyl N-(4-(4-amino-1-(2-(4-(dimethylamino)piperidin-1-yl)ethyl)-1h-pyrazolo(3,4-d)pyrimidin-3-yl)-2-methoxyphenyl)carbamate

11. Tert-butyl N-[4-(4-amino-1-{2-[4-(dimethylamino)piperidin-1-yl]ethyl}pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl]carbamate

12. Gtpl9186

13. Nxp900

14. Schembl18258375

15. Ex-a3152

16. Bdbm50184767

17. Nsc854154

18. Akos040759429

19. Nsc-854154

20. Ac-36398

21. Be166437

22. Da-52795

23. Ms-29482

24. Hy-112096

25. Cs-0043341

26. D87145

27. Q27077149

28. Ucw

2.3 Create Date

2016-07-22

3 Chemical and Physical Properties

Molecular Formula	C₂₆H₃₈N₈O₃
Molecular Weight	510.6 g/mol
XLogP3	2.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	9
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	124
Heavy Atom Count	37
Formal Charge	0
Complexity	742
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1