(3R)-3-deuterio-3-[6-[[1-[4-methyl-1-[(1-methylcyclopropyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-deuterio-3-[6-[[1-[4-methyl-1-[1-(trideuteriomethyl)cyclopropyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[[1-[1-[dideuterio-(1-methylcyclopropyl)methyl]-4-methylpiperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[dideuterio-[1-[4-methyl-1-[(1-methylcyclopropyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[[1-[2,2,3,3,5,5,6,6-octadeuterio-4-methyl-1-[(1-methylcyclopropyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3,3,4,4,5-pentadeuterio-5-[6-[[1-[4-methyl-1-[(1-methylcyclopropyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione

C185H208N30O18 — CID 167559662

IUPAC(3R)-3-deuterio-3-[6-[[1-[4-methyl-1-[(1-methylcyclopropyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-deuterio-3-[6-[[1-[4-methyl-1-[1-(trideuteriomethyl)cyclopropyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[[1-[1-[dideuterio-(1-methylcyclopropyl)methyl]-4-methylpiperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[dideuterio-[1-[4-methyl-1-[(1-methylcyclopropyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[[1-[2,2,3,3,5,5,6,6-octadeuterio-4-methyl-1-[(1-methylcyclopropyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3,3,4,4,5-pentadeuterio-5-[6-[[1-[4-methyl-1-[(1-methylcyclopropyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione
SMILES[2H]C([2H])(N1CCC(C)(n2cc(Cc3ccc4c5c(cccc35)C(=O)N4C3CCC(=O)NC3=O)cn2)CC1)C1(C)CC1.[2H]C([2H])(c1cnn(C2(C)CCN(CC3(C)CC3)CC2)c1)c1ccc2c3c(cccc13)C(=O)N2C1CCC(=O)NC1=O.[2H]C1(N2C(=O)c3cccc4c(Cc5cnn(C6(C)CCN(C7(C([2H])([2H])[2H])CC7)CC6)c5)ccc2c34)CCC(=O)NC1=O.[2H]C1([2H])C(=O)NC(=O)C([2H])(N2C(=O)c3cccc4c(Cc5cnn(C6(C)CCN(CC7(C)CC7)CC6)c5)ccc2c34)C1([2H])[2H].[2H]C1([2H])N(CC2(C)CC2)C([2H])([2H])C([2H])([2H])C(C)(n2cc(Cc3ccc4c5c(cccc35)C(=O)N4C3CCC(=O)NC3=O)cn2)C1([2H])[2H].[2H][C@@]1(N2C(=O)c3cccc4c(Cc5cnn(C6(C)CCN(CC7(C)CC7)CC6)c5)ccc2c34)CCC(=O)NC1=O
InChIInChI=1S/5C31H35N5O3.C30H33N5O3/c5*1-30(10-11-30)19-34-14-12-31(2,13-15-34)35-18-20(17-32-35)16-21-6-7-24-27-22(21)4-3-5-23(27)29(39)36(24)25-8-9-26(37)33-28(25)38;1-29(10-11-29)33-14-12-30(2,13-15-33)34-18-19(17-31-34)16-20-6-7-23-26-21(20)4-3-5-22(26)28(38)35(23)24-8-9-25(36)32-27(24)37/h5*3-7,17-18,25H,8-16,19H2,1-2H3,(H,33,37,38);3-7,17-18,24H,8-16H2,1-2H3,(H,32,36,37)/t25-;;;;;/m1...../s1/i25D;12D2,13D2,14D2,15D2;8D2,9D2,25D;19D2;16D2;1D3,24D
InChIKeyDMCXGXNFEBGWRF-TZHWTPHZSA-N
MW3162.03 g/mol
LogP23.77
Rot. Bonds36

About (3R)-3-deuterio-3-[6-[[1-[4-methyl-1-[(1-methylcyclopropyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-deuterio-3-[6-[[1-[4-methyl-1-[1-(trideuteriomethyl)cyclopropyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[[1-[1-[dideuterio-(1-methylcyclopropyl)methyl]-4-methylpiperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[dideuterio-[1-[4-methyl-1-[(1-methylcyclopropyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[[1-[2,2,3,3,5,5,6,6-octadeuterio-4-methyl-1-[(1-methylcyclopropyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3,3,4,4,5-pentadeuterio-5-[6-[[1-[4-methyl-1-[(1-methylcyclopropyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione

(3R)-3-deuterio-3-[6-[[1-[4-methyl-1-[(1-methylcyclopropyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-deuterio-3-[6-[[1-[4-methyl-1-[1-(trideuteriomethyl)cyclopropyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[[1-[1-[dideuterio-(1-methylcyclopropyl)methyl]-4-methylpiperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[dideuterio-[1-[4-methyl-1-[(1-methylcyclopropyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[[1-[2,2,3,3,5,5,6,6-octadeuterio-4-methyl-1-[(1-methylcyclopropyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3,3,4,4,5-pentadeuterio-5-[6-[[1-[4-methyl-1-[(1-methylcyclopropyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione (PubChem CID 167559662) has the molecular formula C185H208N30O18 and a molecular weight of 3162.03 g/mol. Its IUPAC name is (3R)-3-deuterio-3-[6-[[1-[4-methyl-1-[(1-methylcyclopropyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-deuterio-3-[6-[[1-[4-methyl-1-[1-(trideuteriomethyl)cyclopropyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[[1-[1-[dideuterio-(1-methylcyclopropyl)methyl]-4-methylpiperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[dideuterio-[1-[4-methyl-1-[(1-methylcyclopropyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[[1-[2,2,3,3,5,5,6,6-octadeuterio-4-methyl-1-[(1-methylcyclopropyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3,3,4,4,5-pentadeuterio-5-[6-[[1-[4-methyl-1-[(1-methylcyclopropyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name(3R)-3-deuterio-3-[6-[[1-[4-methyl-1-[(1-methylcyclopropyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-deuterio-3-[6-[[1-[4-methyl-1-[1-(trideuteriomethyl)cyclopropyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[[1-[1-[dideuterio-(1-methylcyclopropyl)methyl]-4-methylpiperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[dideuterio-[1-[4-methyl-1-[(1-methylcyclopropyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[[1-[2,2,3,3,5,5,6,6-octadeuterio-4-methyl-1-[(1-methylcyclopropyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3,3,4,4,5-pentadeuterio-5-[6-[[1-[4-methyl-1-[(1-methylcyclopropyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione
PubChem CID167559662
Molecular FormulaC185H208N30O18
Molecular Weight3162.03 g/mol
Exact Mass3159.77
IUPAC Name(3R)-3-deuterio-3-[6-[[1-[4-methyl-1-[(1-methylcyclopropyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-deuterio-3-[6-[[1-[4-methyl-1-[1-(trideuteriomethyl)cyclopropyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[[1-[1-[dideuterio-(1-methylcyclopropyl)methyl]-4-methylpiperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[dideuterio-[1-[4-methyl-1-[(1-methylcyclopropyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[[1-[2,2,3,3,5,5,6,6-octadeuterio-4-methyl-1-[(1-methylcyclopropyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3,3,4,4,5-pentadeuterio-5-[6-[[1-[4-methyl-1-[(1-methylcyclopropyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione
SMILES[2H]C([2H])(N1CCC(C)(n2cc(Cc3ccc4c5c(cccc35)C(=O)N4C3CCC(=O)NC3=O)cn2)CC1)C1(C)CC1.[2H]C([2H])(c1cnn(C2(C)CCN(CC3(C)CC3)CC2)c1)c1ccc2c3c(cccc13)C(=O)N2C1CCC(=O)NC1=O.[2H]C1(N2C(=O)c3cccc4c(Cc5cnn(C6(C)CCN(C7(C([2H])([2H])[2H])CC7)CC6)c5)ccc2c34)CCC(=O)NC1=O.[2H]C1([2H])C(=O)NC(=O)C([2H])(N2C(=O)c3cccc4c(Cc5cnn(C6(C)CCN(CC7(C)CC7)CC6)c5)ccc2c34)C1([2H])[2H].[2H]C1([2H])N(CC2(C)CC2)C([2H])([2H])C([2H])([2H])C(C)(n2cc(Cc3ccc4c5c(cccc35)C(=O)N4C3CCC(=O)NC3=O)cn2)C1([2H])[2H].[2H][C@@]1(N2C(=O)c3cccc4c(Cc5cnn(C6(C)CCN(CC7(C)CC7)CC6)c5)ccc2c34)CCC(=O)NC1=O
InChIInChI=1S/5C31H35N5O3.C30H33N5O3/c5*1-30(10-11-30)19-34-14-12-31(2,13-15-34)35-18-20(17-32-35)16-21-6-7-24-27-22(21)4-3-5-23(27)29(39)36(24)25-8-9-26(37)33-28(25)38;1-29(10-11-29)33-14-12-30(2,13-15-33)34-18-19(17-31-34)16-20-6-7-23-26-21(20)4-3-5-22(26)28(38)35(23)24-8-9-25(36)32-27(24)37/h5*3-7,17-18,25H,8-16,19H2,1-2H3,(H,33,37,38);3-7,17-18,24H,8-16H2,1-2H3,(H,32,36,37)/t25-;;;;;/m1...../s1/i25D;12D2,13D2,14D2,15D2;8D2,9D2,25D;19D2;16D2;1D3,24D
InChIKeyDMCXGXNFEBGWRF-TZHWTPHZSA-N
XLogP23.77
TPSA525.24 Ų
H-Bond Donors6
H-Bond Acceptors36
Rotatable Bonds36
Heavy Atoms233
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003162.03
LogP ≤ 523.77
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1036

Analyze (3R)-3-deuterio-3-[6-[[1-[4-methyl-1-[(1-methylcyclopropyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-deuterio-3-[6-[[1-[4-methyl-1-[1-(trideuteriomethyl)cyclopropyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[[1-[1-[dideuterio-(1-methylcyclopropyl)methyl]-4-methylpiperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[dideuterio-[1-[4-methyl-1-[(1-methylcyclopropyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[[1-[2,2,3,3,5,5,6,6-octadeuterio-4-methyl-1-[(1-methylcyclopropyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3,3,4,4,5-pentadeuterio-5-[6-[[1-[4-methyl-1-[(1-methylcyclopropyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione with MolForge

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Related Compounds

3-[6-[[1-[4-(Azidomethyl)-1-[1-(trifluoromethyl)cyclopropanecarbonyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione
CID 155194504
3-[6-[[1-[1-[(1-Fluorocyclopropyl)methyl]-4-methylpiperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione
CID 155194564
3-[6-[[1-[4-Methyl-1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione
CID 155194964
3-[6-[[1-[1-(2-Fluoro-2-methylpropanoyl)-4-methylpiperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione
CID 155207479
3-[6-[[1-[1-[1-(Difluoromethyl)cyclopropanecarbonyl]-4-methylpiperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione
CID 155207684
3-[6-[[1-[4-Methyl-1-[1-(trifluoromethyl)cyclopropanecarbonyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione
CID 155208135
3-[6-[[1-[1-(3-Fluoro-2,2-dimethylpropanoyl)-4-methylpiperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione
CID 155208180
4-(Aminomethyl)-4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carbaldehyde;ethane;1-methyl-1-(trifluoromethyl)cyclopropane
CID 155710171
4-[[1-[1-(3,3-Difluoro-1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(1-methylcyclohexanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(1-methylcyclopentanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(1-phenylcyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-[1-(trifluoromethyl)cyclopropanecarbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione
CID 157518929
4-[[1-[(2R)-butan-2-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;N-tert-butyl-4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]cyclohexane-1-carboxamide;tert-butyl N-methyl-N-[3-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]propyl]carbamate;4-[(1-cyclopropylpyrazol-4-yl)methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[(1-phenylpyrazol-4-yl)methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[(1-propan-2-ylpyrazol-4-yl)methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methylamino]isoindole-1,3-dione
CID 158024102
4-[[1-[1-(2,2-Dichloro-1-methylcyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(1-methylcyclohexanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(1-methylcyclopentanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-[1-(trifluoromethyl)cyclobutanecarbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione
CID 158498436
4-[[1-[1-(3,3-Difluorocyclobutyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2,2-difluoroethyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2,2-difluoropropyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-(1-phenylpiperidin-4-yl)pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione
CID 158752867

Frequently Asked Questions

What is the IUPAC name of (3R)-3-deuterio-3-[6-[[1-[4-methyl-1-[(1-methylcyclopropyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-deuterio-3-[6-[[1-[4-methyl-1-[1-(trideuteriomethyl)cyclopropyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[[1-[1-[dideuterio-(1-methylcyclopropyl)methyl]-4-methylpiperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[dideuterio-[1-[4-methyl-1-[(1-methylcyclopropyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[[1-[2,2,3,3,5,5,6,6-octadeuterio-4-methyl-1-[(1-methylcyclopropyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3,3,4,4,5-pentadeuterio-5-[6-[[1-[4-methyl-1-[(1-methylcyclopropyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione?
The IUPAC name of (3R)-3-deuterio-3-[6-[[1-[4-methyl-1-[(1-methylcyclopropyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-deuterio-3-[6-[[1-[4-methyl-1-[1-(trideuteriomethyl)cyclopropyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[[1-[1-[dideuterio-(1-methylcyclopropyl)methyl]-4-methylpiperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[dideuterio-[1-[4-methyl-1-[(1-methylcyclopropyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[[1-[2,2,3,3,5,5,6,6-octadeuterio-4-methyl-1-[(1-methylcyclopropyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3,3,4,4,5-pentadeuterio-5-[6-[[1-[4-methyl-1-[(1-methylcyclopropyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione (CID 167559662) is (3R)-3-deuterio-3-[6-[[1-[4-methyl-1-[(1-methylcyclopropyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-deuterio-3-[6-[[1-[4-methyl-1-[1-(trideuteriomethyl)cyclopropyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[[1-[1-[dideuterio-(1-methylcyclopropyl)methyl]-4-methylpiperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[dideuterio-[1-[4-methyl-1-[(1-methylcyclopropyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[[1-[2,2,3,3,5,5,6,6-octadeuterio-4-methyl-1-[(1-methylcyclopropyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3,3,4,4,5-pentadeuterio-5-[6-[[1-[4-methyl-1-[(1-methylcyclopropyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione.
What is the SMILES notation for (3R)-3-deuterio-3-[6-[[1-[4-methyl-1-[(1-methylcyclopropyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-deuterio-3-[6-[[1-[4-methyl-1-[1-(trideuteriomethyl)cyclopropyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[[1-[1-[dideuterio-(1-methylcyclopropyl)methyl]-4-methylpiperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[dideuterio-[1-[4-methyl-1-[(1-methylcyclopropyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[[1-[2,2,3,3,5,5,6,6-octadeuterio-4-methyl-1-[(1-methylcyclopropyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3,3,4,4,5-pentadeuterio-5-[6-[[1-[4-methyl-1-[(1-methylcyclopropyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione?
The canonical SMILES for (3R)-3-deuterio-3-[6-[[1-[4-methyl-1-[(1-methylcyclopropyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-deuterio-3-[6-[[1-[4-methyl-1-[1-(trideuteriomethyl)cyclopropyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[[1-[1-[dideuterio-(1-methylcyclopropyl)methyl]-4-methylpiperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[dideuterio-[1-[4-methyl-1-[(1-methylcyclopropyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[[1-[2,2,3,3,5,5,6,6-octadeuterio-4-methyl-1-[(1-methylcyclopropyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3,3,4,4,5-pentadeuterio-5-[6-[[1-[4-methyl-1-[(1-methylcyclopropyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione is [2H]C([2H])(N1CCC(C)(n2cc(Cc3ccc4c5c(cccc35)C(=O)N4C3CCC(=O)NC3=O)cn2)CC1)C1(C)CC1.[2H]C([2H])(c1cnn(C2(C)CCN(CC3(C)CC3)CC2)c1)c1ccc2c3c(cccc13)C(=O)N2C1CCC(=O)NC1=O.[2H]C1(N2C(=O)c3cccc4c(Cc5cnn(C6(C)CCN(C7(C([2H])([2H])[2H])CC7)CC6)c5)ccc2c34)CCC(=O)NC1=O.[2H]C1([2H])C(=O)NC(=O)C([2H])(N2C(=O)c3cccc4c(Cc5cnn(C6(C)CCN(CC7(C)CC7)CC6)c5)ccc2c34)C1([2H])[2H].[2H]C1([2H])N(CC2(C)CC2)C([2H])([2H])C([2H])([2H])C(C)(n2cc(Cc3ccc4c5c(cccc35)C(=O)N4C3CCC(=O)NC3=O)cn2)C1([2H])[2H].[2H][C@@]1(N2C(=O)c3cccc4c(Cc5cnn(C6(C)CCN(CC7(C)CC7)CC6)c5)ccc2c34)CCC(=O)NC1=O.
What is the InChIKey of (3R)-3-deuterio-3-[6-[[1-[4-methyl-1-[(1-methylcyclopropyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-deuterio-3-[6-[[1-[4-methyl-1-[1-(trideuteriomethyl)cyclopropyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[[1-[1-[dideuterio-(1-methylcyclopropyl)methyl]-4-methylpiperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[dideuterio-[1-[4-methyl-1-[(1-methylcyclopropyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[[1-[2,2,3,3,5,5,6,6-octadeuterio-4-methyl-1-[(1-methylcyclopropyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3,3,4,4,5-pentadeuterio-5-[6-[[1-[4-methyl-1-[(1-methylcyclopropyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione?
The InChIKey is DMCXGXNFEBGWRF-TZHWTPHZSA-N. The full InChI is InChI=1S/5C31H35N5O3.C30H33N5O3/c5*1-30(10-11-30)19-34-14-12-31(2,13-15-34)35-18-20(17-32-35)16-21-6-7-24-27-22(21)4-3-5-23(27)29(39)36(24)25-8-9-26(37)33-28(25)38;1-29(10-11-29)33-14-12-30(2,13-15-33)34-18-19(17-31-34)16-20-6-7-23-26-21(20)4-3-5-22(26)28(38)35(23)24-8-9-25(36)32-27(24)37/h5*3-7,17-18,25H,8-16,19H2,1-2H3,(H,33,37,38);3-7,17-18,24H,8-16H2,1-2H3,(H,32,36,37)/t25-;;;;;/m1...../s1/i25D;12D2,13D2,14D2,15D2;8D2,9D2,25D;19D2;16D2;1D3,24D.
What are the key properties of (3R)-3-deuterio-3-[6-[[1-[4-methyl-1-[(1-methylcyclopropyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-deuterio-3-[6-[[1-[4-methyl-1-[1-(trideuteriomethyl)cyclopropyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[[1-[1-[dideuterio-(1-methylcyclopropyl)methyl]-4-methylpiperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[dideuterio-[1-[4-methyl-1-[(1-methylcyclopropyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[[1-[2,2,3,3,5,5,6,6-octadeuterio-4-methyl-1-[(1-methylcyclopropyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3,3,4,4,5-pentadeuterio-5-[6-[[1-[4-methyl-1-[(1-methylcyclopropyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione?
(3R)-3-deuterio-3-[6-[[1-[4-methyl-1-[(1-methylcyclopropyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-deuterio-3-[6-[[1-[4-methyl-1-[1-(trideuteriomethyl)cyclopropyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[[1-[1-[dideuterio-(1-methylcyclopropyl)methyl]-4-methylpiperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[dideuterio-[1-[4-methyl-1-[(1-methylcyclopropyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[[1-[2,2,3,3,5,5,6,6-octadeuterio-4-methyl-1-[(1-methylcyclopropyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3,3,4,4,5-pentadeuterio-5-[6-[[1-[4-methyl-1-[(1-methylcyclopropyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione has a molecular weight of 3162.03 g/mol, XLogP of 23.77, 36 rotatable bonds, 6 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-deuterio-3-[6-[[1-[4-methyl-1-[(1-methylcyclopropyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-deuterio-3-[6-[[1-[4-methyl-1-[1-(trideuteriomethyl)cyclopropyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[[1-[1-[dideuterio-(1-methylcyclopropyl)methyl]-4-methylpiperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[dideuterio-[1-[4-methyl-1-[(1-methylcyclopropyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[[1-[2,2,3,3,5,5,6,6-octadeuterio-4-methyl-1-[(1-methylcyclopropyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3,3,4,4,5-pentadeuterio-5-[6-[[1-[4-methyl-1-[(1-methylcyclopropyl)methyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione is sourced from PubChem (CID 167559662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).