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Summary Geometry Related PDB entries

A1JWM

Summary

Name:	(1S)-1'-[3-azanyl-2-[2,3-bis(chloranyl)phenyl]pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
Formula:	C24 H23 Cl2 N7
Formal charge:	0
Formula weight:	480.392 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	(1~{S})-1'-[3-azanyl-2-[2,3-bis(chloranyl)phenyl]pyrazolo[3,4-b]pyrazin-6-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C24H23Cl2N7/c25-16-6-3-7-17(19(16)26)33-22(28)20-23(31-33)30-18(13-29-20)32-10-8-24(9-11-32)12-14-4-1-2-5-15(14)21(24)27/h1-7,13,21H,8-12,27-28H2/t21-/m1/s1
InChIKey	InChI	1.06	NQBZNHDNVBXSPP-OAQYLSRUSA-N
SMILES_CANONICAL	CACTVS	3.385	N[C@@H]1c2ccccc2CC13CCN(CC3)c4cnc5c(N)n(nc5n4)c6cccc(Cl)c6Cl
SMILES	CACTVS	3.385	N[CH]1c2ccccc2CC13CCN(CC3)c4cnc5c(N)n(nc5n4)c6cccc(Cl)c6Cl
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1ccc2c(c1)CC3([C@@H]2N)CCN(CC3)c4cnc5c(n(nc5n4)c6cccc(c6Cl)Cl)N
SMILES	OpenEye OEToolkits	2.0.7	c1ccc2c(c1)CC3(C2N)CCN(CC3)c4cnc5c(n(nc5n4)c6cccc(c6Cl)Cl)N

257179

PDB entries from 2026-07-29

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