3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;bis(3-[7-[(2-chloro-9-propan-2-ylpurin-6-yl)amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione);2,6-dichloro-9-propan-2-ylpurine;2,3-dihydro-1H-inden-5-amine;3-[7-[[2-(2,3-dihydro-1H-inden-5-ylamino)-9-propan-2-ylpurin-6-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;methane;2,2,2-trifluoroacetaldehyde — IUPAC name, SMILES, InChIKey & properties

Name: 3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;bis(3-[7-[(2-chloro-9-propan-2-ylpurin-6-yl)amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione);2,6-dichloro-9-propan-2-ylpurine;2,3-dihydro-1H-inden-5-amine;3-[7-[[2-(2,3-dihydro-1H-inden-5-ylamino)-9-propan-2-ylpurin-6-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;methane;2,2,2-trifluoroacetaldehyde — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About 3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;bis(3-[7-[(2-chloro-9-propan-2-ylpurin-6-yl)amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione);2,6-dichloro-9-propan-2-ylpurine;2,3-dihydro-1H-inden-5-amine;3-[7-[[2-(2,3-dihydro-1H-inden-5-ylamino)-9-propan-2-ylpurin-6-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;methane;2,2,2-trifluoroacetaldehyde

3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;bis(3-[7-[(2-chloro-9-propan-2-ylpurin-6-yl)amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione);2,6-dichloro-9-propan-2-ylpurine;2,3-dihydro-1H-inden-5-amine;3-[7-[[2-(2,3-dihydro-1H-inden-5-ylamino)-9-propan-2-ylpurin-6-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;methane;2,2,2-trifluoroacetaldehyde (PubChem CID 162010580) has the molecular formula C107H115Cl4F3N30O13 and a molecular weight of 2228.10 g/mol. Its IUPAC name is 3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;bis(3-[7-[(2-chloro-9-propan-2-ylpurin-6-yl)amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione);2,6-dichloro-9-propan-2-ylpurine;2,3-dihydro-1H-inden-5-amine;3-[7-[[2-(2,3-dihydro-1H-inden-5-ylamino)-9-propan-2-ylpurin-6-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;methane;2,2,2-trifluoroacetaldehyde.

Molecular Properties

Compound Name	3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;bis(3-[7-[(2-chloro-9-propan-2-ylpurin-6-yl)amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione);2,6-dichloro-9-propan-2-ylpurine;2,3-dihydro-1H-inden-5-amine;3-[7-[[2-(2,3-dihydro-1H-inden-5-ylamino)-9-propan-2-ylpurin-6-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;methane;2,2,2-trifluoroacetaldehyde
PubChem CID	162010580
Molecular Formula	C107H115Cl4F3N30O13
Molecular Weight	2228.10 g/mol
Exact Mass	2224.80
IUPAC Name	3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;bis(3-[7-[(2-chloro-9-propan-2-ylpurin-6-yl)amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione);2,6-dichloro-9-propan-2-ylpurine;2,3-dihydro-1H-inden-5-amine;3-[7-[[2-(2,3-dihydro-1H-inden-5-ylamino)-9-propan-2-ylpurin-6-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;methane;2,2,2-trifluoroacetaldehyde
SMILES	C.C.C.CC(C)n1cnc2c(Cl)nc(Cl)nc21.CC(C)n1cnc2c(Nc3cccc4c3CN(C3CCC(=O)NC3=O)C4=O)nc(Cl)nc21.CC(C)n1cnc2c(Nc3cccc4c3CN(C3CCC(=O)NC3=O)C4=O)nc(Cl)nc21.CC(C)n1cnc2c(Nc3cccc4c3CN(C3CCC(=O)NC3=O)C4=O)nc(Nc3ccc4c(c3)CCC4)nc21.Nc1ccc2c(c1)CCC2.Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O.O=CC(F)(F)F
InChI	InChI=1S/C30H30N8O3.2C21H20ClN7O3.C13H13N3O3.C9H11N.C8H8Cl2N4.C2HF3O.3CH4/c1-16(2)38-15-31-25-26(35-30(36-27(25)38)32-19-10-9-17-5-3-6-18(17)13-19)33-22-8-4-7-20-21(22)14-37(29(20)41)23-11-12-24(39)34-28(23)40;21-10(2)29-9-23-16-17(26-21(22)27-18(16)29)24-13-5-3-4-11-12(13)8-28(20(11)32)14-6-7-15(30)25-19(14)31;14-9-3-1-2-7-8(9)6-16(13(7)19)10-4-5-11(17)15-12(10)18;10-9-5-4-7-2-1-3-8(7)6-9;1-4(2)14-3-11-5-6(9)12-8(10)13-7(5)14;3-2(4,5)1-6;;;/h4,7-10,13,15-16,23H,3,5-6,11-12,14H2,1-2H3,(H,34,39,40)(H2,32,33,35,36);23-5,9-10,14H,6-8H2,1-2H3,(H,24,26,27)(H,25,30,31);1-3,10H,4-6,14H2,(H,15,17,18);4-6H,1-3,10H2;3-4H,1-2H3;1H;3*1H4
InChIKey	YTKMIMBRKIJSQY-UHFFFAOYSA-N
XLogP	16.43
TPSA	557.55 Å²
H-Bond Donors	10
H-Bond Acceptors	35
Rotatable Bonds	16
Heavy Atoms	157
Complexity	—

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2228.10
LogP ≤ 5	16.43
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;bis(3-[7-[(2-chloro-9-propan-2-ylpurin-6-yl)amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione);2,6-dichloro-9-propan-2-ylpurine;2,3-dihydro-1H-inden-5-amine;3-[7-[[2-(2,3-dihydro-1H-inden-5-ylamino)-9-propan-2-ylpurin-6-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;methane;2,2,2-trifluoroacetaldehyde with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;bis(3-[7-[(2-chloro-9-propan-2-ylpurin-6-yl)amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione);2,6-dichloro-9-propan-2-ylpurine;2,3-dihydro-1H-inden-5-amine;3-[7-[[2-(2,3-dihydro-1H-inden-5-ylamino)-9-propan-2-ylpurin-6-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;methane;2,2,2-trifluoroacetaldehyde?

The IUPAC name of 3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;bis(3-[7-[(2-chloro-9-propan-2-ylpurin-6-yl)amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione);2,6-dichloro-9-propan-2-ylpurine;2,3-dihydro-1H-inden-5-amine;3-[7-[[2-(2,3-dihydro-1H-inden-5-ylamino)-9-propan-2-ylpurin-6-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;methane;2,2,2-trifluoroacetaldehyde (CID 162010580) is 3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;bis(3-[7-[(2-chloro-9-propan-2-ylpurin-6-yl)amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione);2,6-dichloro-9-propan-2-ylpurine;2,3-dihydro-1H-inden-5-amine;3-[7-[[2-(2,3-dihydro-1H-inden-5-ylamino)-9-propan-2-ylpurin-6-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;methane;2,2,2-trifluoroacetaldehyde.

What is the SMILES notation for 3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;bis(3-[7-[(2-chloro-9-propan-2-ylpurin-6-yl)amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione);2,6-dichloro-9-propan-2-ylpurine;2,3-dihydro-1H-inden-5-amine;3-[7-[[2-(2,3-dihydro-1H-inden-5-ylamino)-9-propan-2-ylpurin-6-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;methane;2,2,2-trifluoroacetaldehyde?

The canonical SMILES for 3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;bis(3-[7-[(2-chloro-9-propan-2-ylpurin-6-yl)amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione);2,6-dichloro-9-propan-2-ylpurine;2,3-dihydro-1H-inden-5-amine;3-[7-[[2-(2,3-dihydro-1H-inden-5-ylamino)-9-propan-2-ylpurin-6-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;methane;2,2,2-trifluoroacetaldehyde is C.C.C.CC(C)n1cnc2c(Cl)nc(Cl)nc21.CC(C)n1cnc2c(Nc3cccc4c3CN(C3CCC(=O)NC3=O)C4=O)nc(Cl)nc21.CC(C)n1cnc2c(Nc3cccc4c3CN(C3CCC(=O)NC3=O)C4=O)nc(Cl)nc21.CC(C)n1cnc2c(Nc3cccc4c3CN(C3CCC(=O)NC3=O)C4=O)nc(Nc3ccc4c(c3)CCC4)nc21.Nc1ccc2c(c1)CCC2.Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O.O=CC(F)(F)F.

What is the InChIKey of 3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;bis(3-[7-[(2-chloro-9-propan-2-ylpurin-6-yl)amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione);2,6-dichloro-9-propan-2-ylpurine;2,3-dihydro-1H-inden-5-amine;3-[7-[[2-(2,3-dihydro-1H-inden-5-ylamino)-9-propan-2-ylpurin-6-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;methane;2,2,2-trifluoroacetaldehyde?

The InChIKey is YTKMIMBRKIJSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N8O3.2C21H20ClN7O3.C13H13N3O3.C9H11N.C8H8Cl2N4.C2HF3O.3CH4/c1-16(2)38-15-31-25-26(35-30(36-27(25)38)32-19-10-9-17-5-3-6-18(17)13-19)33-22-8-4-7-20-21(22)14-37(29(20)41)23-11-12-24(39)34-28(23)40;2*1-10(2)29-9-23-16-17(26-21(22)27-18(16)29)24-13-5-3-4-11-12(13)8-28(20(11)32)14-6-7-15(30)25-19(14)31;14-9-3-1-2-7-8(9)6-16(13(7)19)10-4-5-11(17)15-12(10)18;10-9-5-4-7-2-1-3-8(7)6-9;1-4(2)14-3-11-5-6(9)12-8(10)13-7(5)14;3-2(4,5)1-6;;;/h4,7-10,13,15-16,23H,3,5-6,11-12,14H2,1-2H3,(H,34,39,40)(H2,32,33,35,36);2*3-5,9-10,14H,6-8H2,1-2H3,(H,24,26,27)(H,25,30,31);1-3,10H,4-6,14H2,(H,15,17,18);4-6H,1-3,10H2;3-4H,1-2H3;1H;3*1H4.

What are the key properties of 3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;bis(3-[7-[(2-chloro-9-propan-2-ylpurin-6-yl)amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione);2,6-dichloro-9-propan-2-ylpurine;2,3-dihydro-1H-inden-5-amine;3-[7-[[2-(2,3-dihydro-1H-inden-5-ylamino)-9-propan-2-ylpurin-6-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;methane;2,2,2-trifluoroacetaldehyde?

Where does this data come from?

All data for 3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;bis(3-[7-[(2-chloro-9-propan-2-ylpurin-6-yl)amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione);2,6-dichloro-9-propan-2-ylpurine;2,3-dihydro-1H-inden-5-amine;3-[7-[[2-(2,3-dihydro-1H-inden-5-ylamino)-9-propan-2-ylpurin-6-yl]amino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;methane;2,2,2-trifluoroacetaldehyde is sourced from PubChem (CID 162010580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).