6-bromo-1H-benzo[cd]indol-2-one;3-bromopiperidine-2,6-dione;tert-butyl 4-(4-aminopyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[(2-oxo-1H-benzo[cd]indol-6-yl)amino]pyrazol-1-yl]piperidine-1-carboxylate;3-[6-[[1-[1-(cubane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]amino]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;cubane-1-carboxylic acid;deuterio(fluoro)methane;3-[2-oxo-6-[(1-piperidin-4-ylpyrazol-4-yl)amino]benzo[cd]indol-1-yl]piperidine-2,6-dione;hydrochloride

C149H159Br2ClFN29O22 — CID 167578278

IUPAC6-bromo-1H-benzo[cd]indol-2-one;3-bromopiperidine-2,6-dione;tert-butyl 4-(4-aminopyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[(2-oxo-1H-benzo[cd]indol-6-yl)amino]pyrazol-1-yl]piperidine-1-carboxylate;3-[6-[[1-[1-(cubane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]amino]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;cubane-1-carboxylic acid;deuterio(fluoro)methane;3-[2-oxo-6-[(1-piperidin-4-ylpyrazol-4-yl)amino]benzo[cd]indol-1-yl]piperidine-2,6-dione;hydrochloride
SMILESCC(C)(C)OC(=O)N1CCC(n2cc(N)cn2)CC1.CC(C)(C)OC(=O)N1CCC(n2cc(Nc3ccc4c5c(cccc35)C(=O)N4)cn2)CC1.CC(C)(C)OC(=O)N1CCC(n2cc(Nc3ccc4c5c(cccc35)C(=O)N4C3CCC(=O)NC3=O)cn2)CC1.Cl.O=C(O)C12C3C4C5C3C1C5C42.O=C1CCC(Br)C(=O)N1.O=C1CCC(N2C(=O)c3cccc4c(Nc5cnn(C6CCN(C(=O)C78C9C%10C%11C9C7C%11C%108)CC6)c5)ccc2c34)C(=O)N1.O=C1CCC(N2C(=O)c3cccc4c(Nc5cnn(C6CCNCC6)c5)ccc2c34)C(=O)N1.O=C1Nc2ccc(Br)c3cccc1c23.[2H]CF
InChIInChI=1S/C33H30N6O4.C29H32N6O5.C24H24N6O3.C24H27N5O3.C13H22N4O2.C11H6BrNO.C9H8O2.C5H6BrNO2.CH3F.ClH/c40-21-7-6-20(30(41)36-21)39-19-5-4-18(16-2-1-3-17(22(16)19)31(39)42)35-14-12-34-38(13-14)15-8-10-37(11-9-15)32(43)33-27-24-23-25(27)29(33)26(23)28(24)33;1-29(2,3)40-28(39)33-13-11-18(12-14-33)34-16-17(15-30-34)31-21-7-8-22-25-19(21)5-4-6-20(25)27(38)35(22)23-9-10-24(36)32-26(23)37;31-21-7-6-20(23(32)28-21)30-19-5-4-18(16-2-1-3-17(22(16)19)24(30)33)27-14-12-26-29(13-14)15-8-10-25-11-9-15;1-24(2,3)32-23(31)28-11-9-16(10-12-28)29-14-15(13-25-29)26-19-7-8-20-21-17(19)5-4-6-18(21)22(30)27-20;1-13(2,3)19-12(18)16-6-4-11(5-7-16)17-9-10(14)8-15-17;12-8-4-5-9-10-6(8)2-1-3-7(10)11(14)13-9;10-8(11)9-5-2-1-3(5)7(9)4(1)6(2)9;6-3-1-2-4(8)7-5(3)9;1-2;/h1-5,12-13,15,20,23-29,35H,6-11H2,(H,36,40,41);4-8,15-16,18,23,31H,9-14H2,1-3H3,(H,32,36,37);1-5,12-13,15,20,25,27H,6-11H2,(H,28,31,32);4-8,13-14,16,26H,9-12H2,1-3H3,(H,27,30);8-9,11H,4-7,14H2,1-3H3;1-5H,(H,13,14);1-7H,(H,10,11);3H,1-2H2,(H,7,8,9);1H3;1H/i;;;;;;;;1D;
InChIKeyLLBBJKUSUFVUCD-DBKPQDGCSA-N
MW2923.36 g/mol
LogP21.42
Rot. Bonds18

About 6-bromo-1H-benzo[cd]indol-2-one;3-bromopiperidine-2,6-dione;tert-butyl 4-(4-aminopyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[(2-oxo-1H-benzo[cd]indol-6-yl)amino]pyrazol-1-yl]piperidine-1-carboxylate;3-[6-[[1-[1-(cubane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]amino]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;cubane-1-carboxylic acid;deuterio(fluoro)methane;3-[2-oxo-6-[(1-piperidin-4-ylpyrazol-4-yl)amino]benzo[cd]indol-1-yl]piperidine-2,6-dione;hydrochloride

6-bromo-1H-benzo[cd]indol-2-one;3-bromopiperidine-2,6-dione;tert-butyl 4-(4-aminopyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[(2-oxo-1H-benzo[cd]indol-6-yl)amino]pyrazol-1-yl]piperidine-1-carboxylate;3-[6-[[1-[1-(cubane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]amino]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;cubane-1-carboxylic acid;deuterio(fluoro)methane;3-[2-oxo-6-[(1-piperidin-4-ylpyrazol-4-yl)amino]benzo[cd]indol-1-yl]piperidine-2,6-dione;hydrochloride (PubChem CID 167578278) has the molecular formula C149H159Br2ClFN29O22 and a molecular weight of 2923.36 g/mol. Its IUPAC name is 6-bromo-1H-benzo[cd]indol-2-one;3-bromopiperidine-2,6-dione;tert-butyl 4-(4-aminopyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[(2-oxo-1H-benzo[cd]indol-6-yl)amino]pyrazol-1-yl]piperidine-1-carboxylate;3-[6-[[1-[1-(cubane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]amino]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;cubane-1-carboxylic acid;deuterio(fluoro)methane;3-[2-oxo-6-[(1-piperidin-4-ylpyrazol-4-yl)amino]benzo[cd]indol-1-yl]piperidine-2,6-dione;hydrochloride.

Molecular Properties

Compound Name6-bromo-1H-benzo[cd]indol-2-one;3-bromopiperidine-2,6-dione;tert-butyl 4-(4-aminopyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[(2-oxo-1H-benzo[cd]indol-6-yl)amino]pyrazol-1-yl]piperidine-1-carboxylate;3-[6-[[1-[1-(cubane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]amino]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;cubane-1-carboxylic acid;deuterio(fluoro)methane;3-[2-oxo-6-[(1-piperidin-4-ylpyrazol-4-yl)amino]benzo[cd]indol-1-yl]piperidine-2,6-dione;hydrochloride
PubChem CID167578278
Molecular FormulaC149H159Br2ClFN29O22
Molecular Weight2923.36 g/mol
Exact Mass2919.03
IUPAC Name6-bromo-1H-benzo[cd]indol-2-one;3-bromopiperidine-2,6-dione;tert-butyl 4-(4-aminopyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[(2-oxo-1H-benzo[cd]indol-6-yl)amino]pyrazol-1-yl]piperidine-1-carboxylate;3-[6-[[1-[1-(cubane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]amino]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;cubane-1-carboxylic acid;deuterio(fluoro)methane;3-[2-oxo-6-[(1-piperidin-4-ylpyrazol-4-yl)amino]benzo[cd]indol-1-yl]piperidine-2,6-dione;hydrochloride
SMILESCC(C)(C)OC(=O)N1CCC(n2cc(N)cn2)CC1.CC(C)(C)OC(=O)N1CCC(n2cc(Nc3ccc4c5c(cccc35)C(=O)N4)cn2)CC1.CC(C)(C)OC(=O)N1CCC(n2cc(Nc3ccc4c5c(cccc35)C(=O)N4C3CCC(=O)NC3=O)cn2)CC1.Cl.O=C(O)C12C3C4C5C3C1C5C42.O=C1CCC(Br)C(=O)N1.O=C1CCC(N2C(=O)c3cccc4c(Nc5cnn(C6CCN(C(=O)C78C9C%10C%11C9C7C%11C%108)CC6)c5)ccc2c34)C(=O)N1.O=C1CCC(N2C(=O)c3cccc4c(Nc5cnn(C6CCNCC6)c5)ccc2c34)C(=O)N1.O=C1Nc2ccc(Br)c3cccc1c23.[2H]CF
InChIInChI=1S/C33H30N6O4.C29H32N6O5.C24H24N6O3.C24H27N5O3.C13H22N4O2.C11H6BrNO.C9H8O2.C5H6BrNO2.CH3F.ClH/c40-21-7-6-20(30(41)36-21)39-19-5-4-18(16-2-1-3-17(22(16)19)31(39)42)35-14-12-34-38(13-14)15-8-10-37(11-9-15)32(43)33-27-24-23-25(27)29(33)26(23)28(24)33;1-29(2,3)40-28(39)33-13-11-18(12-14-33)34-16-17(15-30-34)31-21-7-8-22-25-19(21)5-4-6-20(25)27(38)35(22)23-9-10-24(36)32-26(23)37;31-21-7-6-20(23(32)28-21)30-19-5-4-18(16-2-1-3-17(22(16)19)24(30)33)27-14-12-26-29(13-14)15-8-10-25-11-9-15;1-24(2,3)32-23(31)28-11-9-16(10-12-28)29-14-15(13-25-29)26-19-7-8-20-21-17(19)5-4-6-18(21)22(30)27-20;1-13(2,3)19-12(18)16-6-4-11(5-7-16)17-9-10(14)8-15-17;12-8-4-5-9-10-6(8)2-1-3-7(10)11(14)13-9;10-8(11)9-5-2-1-3(5)7(9)4(1)6(2)9;6-3-1-2-4(8)7-5(3)9;1-2;/h1-5,12-13,15,20,23-29,35H,6-11H2,(H,36,40,41);4-8,15-16,18,23,31H,9-14H2,1-3H3,(H,32,36,37);1-5,12-13,15,20,25,27H,6-11H2,(H,28,31,32);4-8,13-14,16,26H,9-12H2,1-3H3,(H,27,30);8-9,11H,4-7,14H2,1-3H3;1-5H,(H,13,14);1-7H,(H,10,11);3H,1-2H2,(H,7,8,9);1H3;1H/i;;;;;;;;1D;
InChIKeyLLBBJKUSUFVUCD-DBKPQDGCSA-N
XLogP21.42
TPSA625.31 Ų
H-Bond Donors13
H-Bond Acceptors37
Rotatable Bonds18
Heavy Atoms204
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002923.36
LogP ≤ 521.42
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 6-bromo-1H-benzo[cd]indol-2-one;3-bromopiperidine-2,6-dione;tert-butyl 4-(4-aminopyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[(2-oxo-1H-benzo[cd]indol-6-yl)amino]pyrazol-1-yl]piperidine-1-carboxylate;3-[6-[[1-[1-(cubane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]amino]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;cubane-1-carboxylic acid;deuterio(fluoro)methane;3-[2-oxo-6-[(1-piperidin-4-ylpyrazol-4-yl)amino]benzo[cd]indol-1-yl]piperidine-2,6-dione;hydrochloride with MolForge

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Related Compounds

3-bromopiperidine-2,6-dione;tert-butyl (4S)-3,3-difluoro-4-[4-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl (4R)-3,3-difluoro-4-[4-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl (4S)-4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]-3,3-difluoropiperidine-1-carboxylate;tert-butyl (4R)-4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]-3,3-difluoropiperidine-1-carboxylate;3-[6-[[1-[(4S)-3,3-difluoropiperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[[1-[(4R)-3,3-difluoropiperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;1-methylcyclobutane-1-carbaldehyde;dihydrochloride
CID 167690905
4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;tert-butyl (4S)-4-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]-2,2-dimethylpiperidine-1-carboxylate;tert-butyl 4-(4-formylpyrazol-1-yl)-2,2-dimethylpiperidine-1-carboxylate;4-[[1-[(4S)-1-(cubane-1-carbonyl)-2,2-dimethylpiperidin-4-yl]pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;cubane-1-carboxylic acid;4-[[1-[(4S)-2,2-dimethylpiperidin-4-yl]pyrazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochloride
CID 161236172
5-bromo-8-[(4-methoxyphenyl)methylamino]naphthalene-1-carbaldehyde;tert-butyl 4-[[3-amino-2-[(2-oxo-1H-benzo[cd]indol-6-yl)amino]prop-2-enylidene]amino]piperidine-1-carboxylate;tert-butyl 4-(4-aminopyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-[4-[[5-formyl-4-[(4-methoxyphenyl)methylamino]naphthalen-1-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;6-[[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]amino]-1H-benzo[cd]indol-2-one;1-methylcyclobutane-1-carboxylic acid;2-methylpropane;molecular hydrogen;6-[(1-piperidin-4-ylpyrazol-4-yl)amino]-1H-benzo[cd]indol-2-one
CID 167540780
6-bromo-1H-benzo[cd]indol-2-one;3-bromopiperidine-2,6-dione;tert-butyl 4-(4-formylpyrazol-1-yl)-4-methylpiperidine-1-carboxylate;tert-butyl 4-[4-[hydroxy-(2-oxo-1H-benzo[cd]indol-6-yl)methyl]pyrazol-1-yl]-4-methylpiperidine-1-carboxylate;tert-butyl 4-methyl-4-[4-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]pyrazol-1-yl]piperidine-1-carboxylate;6-[[1-[1-(cubane-1-carbonyl)-4-methylpiperidin-4-yl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;cubane-1-carboxylic acid;bis(6-[[1-(4-methylpiperidin-4-yl)pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one);hydrochloride
CID 167545612
1H-benzo[cd]indol-2-one;6-bromo-1H-benzo[cd]indol-2-one;3-bromopiperidine-2,6-dione;tert-butyl 4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-(4-formylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-[4-[hydroxy-(2-oxo-1H-benzo[cd]indol-6-yl)methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]pyrazol-1-yl]piperidine-1-carboxylate;6-[(1-piperidin-4-ylpyrazol-4-yl)methyl]-1H-benzo[cd]indol-2-one
CID 167548187
3-bromopiperidine-2,6-dione;tert-butyl 4-[4-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]pyrazol-1-yl]piperidine-1-carboxylate;3-[2-oxo-6-[[1-[1-[(3S)-spiro[3.3]heptan-3-yl]piperidin-4-yl]pyrazol-4-yl]methyl]benzo[cd]indol-1-yl]piperidine-2,6-dione;3-[2-oxo-6-[[1-[1-[(3R)-spiro[3.3]heptan-3-yl]piperidin-4-yl]pyrazol-4-yl]methyl]benzo[cd]indol-1-yl]piperidine-2,6-dione;6-[(1-piperidin-4-ylpyrazol-4-yl)methyl]-1H-benzo[cd]indol-2-one;spiro[3.3]heptan-3-one;6-[[1-[1-[(3S)-spiro[3.3]heptan-3-yl]piperidin-4-yl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;6-[[1-[1-[(3R)-spiro[3.3]heptan-3-yl]piperidin-4-yl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;6-[[1-(1-spiro[3.3]heptan-3-ylpiperidin-4-yl)pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;hydrochloride
CID 167564615
3-bromopiperidine-2,6-dione;tert-butyl 4-[4-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]pyrazol-1-yl]piperidine-1-carboxylate;6-[[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;3-[6-[[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;1-methylcyclobutane-1-carboxylic acid;6-[(1-piperidin-4-ylpyrazol-4-yl)methyl]-1H-benzo[cd]indol-2-one;hydrochloride
CID 167576964
6-bromo-1H-benzo[cd]indol-2-one;3-bromopiperidine-2,6-dione;tert-butyl 4-(3-chloro-4-formylpyrazol-1-yl)-4-methylpiperidine-1-carboxylate;tert-butyl 4-[3-chloro-4-[hydroxy-(2-oxo-1H-benzo[cd]indol-6-yl)methyl]pyrazol-1-yl]-4-methylpiperidine-1-carboxylate;6-[[3-chloro-1-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;3-[6-[[3-chloro-1-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;6-[[3-chloro-1-(4-methylpiperidin-4-yl)pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;1-methylcyclobutane-1-carboxylic acid
CID 167578221
6-bromo-1H-benzo[cd]indol-2-one;3-bromopiperidine-2,6-dione;tert-butyl 4-(4-aminopyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]-methylamino]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(methylamino)pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[methyl-(2-oxo-1H-benzo[cd]indol-6-yl)amino]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[methyl(phenylmethoxycarbonyl)amino]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(phenylmethoxycarbonylamino)pyrazol-1-yl]piperidine-1-carboxylate;molecular hydrogen
CID 167591397
3-bromopiperidine-2,6-dione;3-bromo-1,1,2,2-tetramethylcyclopropane;tert-butyl 4-[4-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]pyrazol-1-yl]piperidine-1-carboxylate;molecular hydrogen;3-[2-oxo-6-[[1-[1-(2,2,3,3-tetramethylcyclopropyl)piperidin-4-yl]pyrazol-4-yl]methyl]benzo[cd]indol-1-yl]piperidine-2,6-dione;6-[(1-piperidin-4-ylpyrazol-4-yl)methyl]-1H-benzo[cd]indol-2-one;6-[[1-[1-(2,2,3,3-tetramethylcyclopropyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;hydrochloride
CID 167594778
Tert-butyl 4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;3-[6-[[1-[1-(cubane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;cubane-1-carboxylic acid;3-[2-oxo-6-[(1-piperidin-4-ylpyrazol-4-yl)methyl]benzo[cd]indol-1-yl]piperidine-2,6-dione;hydrochloride
CID 167600743
3-[6-[[1-[1-(3-Azabicyclo[3.1.1]heptane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;tert-butyl 1-[4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carbonyl]-3-azabicyclo[3.1.1]heptane-3-carboxylate;3-[6-[[1-[1-(3-methyl-3-azabicyclo[3.1.1]heptane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.1]heptane-1-carboxylic acid;3-[2-oxo-6-[(1-piperidin-4-ylpyrazol-4-yl)methyl]benzo[cd]indol-1-yl]piperidine-2,6-dione;hydrochloride
CID 167602570

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1H-benzo[cd]indol-2-one;3-bromopiperidine-2,6-dione;tert-butyl 4-(4-aminopyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[(2-oxo-1H-benzo[cd]indol-6-yl)amino]pyrazol-1-yl]piperidine-1-carboxylate;3-[6-[[1-[1-(cubane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]amino]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;cubane-1-carboxylic acid;deuterio(fluoro)methane;3-[2-oxo-6-[(1-piperidin-4-ylpyrazol-4-yl)amino]benzo[cd]indol-1-yl]piperidine-2,6-dione;hydrochloride?
The IUPAC name of 6-bromo-1H-benzo[cd]indol-2-one;3-bromopiperidine-2,6-dione;tert-butyl 4-(4-aminopyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[(2-oxo-1H-benzo[cd]indol-6-yl)amino]pyrazol-1-yl]piperidine-1-carboxylate;3-[6-[[1-[1-(cubane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]amino]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;cubane-1-carboxylic acid;deuterio(fluoro)methane;3-[2-oxo-6-[(1-piperidin-4-ylpyrazol-4-yl)amino]benzo[cd]indol-1-yl]piperidine-2,6-dione;hydrochloride (CID 167578278) is 6-bromo-1H-benzo[cd]indol-2-one;3-bromopiperidine-2,6-dione;tert-butyl 4-(4-aminopyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[(2-oxo-1H-benzo[cd]indol-6-yl)amino]pyrazol-1-yl]piperidine-1-carboxylate;3-[6-[[1-[1-(cubane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]amino]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;cubane-1-carboxylic acid;deuterio(fluoro)methane;3-[2-oxo-6-[(1-piperidin-4-ylpyrazol-4-yl)amino]benzo[cd]indol-1-yl]piperidine-2,6-dione;hydrochloride.
What is the SMILES notation for 6-bromo-1H-benzo[cd]indol-2-one;3-bromopiperidine-2,6-dione;tert-butyl 4-(4-aminopyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[(2-oxo-1H-benzo[cd]indol-6-yl)amino]pyrazol-1-yl]piperidine-1-carboxylate;3-[6-[[1-[1-(cubane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]amino]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;cubane-1-carboxylic acid;deuterio(fluoro)methane;3-[2-oxo-6-[(1-piperidin-4-ylpyrazol-4-yl)amino]benzo[cd]indol-1-yl]piperidine-2,6-dione;hydrochloride?
The canonical SMILES for 6-bromo-1H-benzo[cd]indol-2-one;3-bromopiperidine-2,6-dione;tert-butyl 4-(4-aminopyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[(2-oxo-1H-benzo[cd]indol-6-yl)amino]pyrazol-1-yl]piperidine-1-carboxylate;3-[6-[[1-[1-(cubane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]amino]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;cubane-1-carboxylic acid;deuterio(fluoro)methane;3-[2-oxo-6-[(1-piperidin-4-ylpyrazol-4-yl)amino]benzo[cd]indol-1-yl]piperidine-2,6-dione;hydrochloride is CC(C)(C)OC(=O)N1CCC(n2cc(N)cn2)CC1.CC(C)(C)OC(=O)N1CCC(n2cc(Nc3ccc4c5c(cccc35)C(=O)N4)cn2)CC1.CC(C)(C)OC(=O)N1CCC(n2cc(Nc3ccc4c5c(cccc35)C(=O)N4C3CCC(=O)NC3=O)cn2)CC1.Cl.O=C(O)C12C3C4C5C3C1C5C42.O=C1CCC(Br)C(=O)N1.O=C1CCC(N2C(=O)c3cccc4c(Nc5cnn(C6CCN(C(=O)C78C9C%10C%11C9C7C%11C%108)CC6)c5)ccc2c34)C(=O)N1.O=C1CCC(N2C(=O)c3cccc4c(Nc5cnn(C6CCNCC6)c5)ccc2c34)C(=O)N1.O=C1Nc2ccc(Br)c3cccc1c23.[2H]CF.
What is the InChIKey of 6-bromo-1H-benzo[cd]indol-2-one;3-bromopiperidine-2,6-dione;tert-butyl 4-(4-aminopyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[(2-oxo-1H-benzo[cd]indol-6-yl)amino]pyrazol-1-yl]piperidine-1-carboxylate;3-[6-[[1-[1-(cubane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]amino]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;cubane-1-carboxylic acid;deuterio(fluoro)methane;3-[2-oxo-6-[(1-piperidin-4-ylpyrazol-4-yl)amino]benzo[cd]indol-1-yl]piperidine-2,6-dione;hydrochloride?
The InChIKey is LLBBJKUSUFVUCD-DBKPQDGCSA-N. The full InChI is InChI=1S/C33H30N6O4.C29H32N6O5.C24H24N6O3.C24H27N5O3.C13H22N4O2.C11H6BrNO.C9H8O2.C5H6BrNO2.CH3F.ClH/c40-21-7-6-20(30(41)36-21)39-19-5-4-18(16-2-1-3-17(22(16)19)31(39)42)35-14-12-34-38(13-14)15-8-10-37(11-9-15)32(43)33-27-24-23-25(27)29(33)26(23)28(24)33;1-29(2,3)40-28(39)33-13-11-18(12-14-33)34-16-17(15-30-34)31-21-7-8-22-25-19(21)5-4-6-20(25)27(38)35(22)23-9-10-24(36)32-26(23)37;31-21-7-6-20(23(32)28-21)30-19-5-4-18(16-2-1-3-17(22(16)19)24(30)33)27-14-12-26-29(13-14)15-8-10-25-11-9-15;1-24(2,3)32-23(31)28-11-9-16(10-12-28)29-14-15(13-25-29)26-19-7-8-20-21-17(19)5-4-6-18(21)22(30)27-20;1-13(2,3)19-12(18)16-6-4-11(5-7-16)17-9-10(14)8-15-17;12-8-4-5-9-10-6(8)2-1-3-7(10)11(14)13-9;10-8(11)9-5-2-1-3(5)7(9)4(1)6(2)9;6-3-1-2-4(8)7-5(3)9;1-2;/h1-5,12-13,15,20,23-29,35H,6-11H2,(H,36,40,41);4-8,15-16,18,23,31H,9-14H2,1-3H3,(H,32,36,37);1-5,12-13,15,20,25,27H,6-11H2,(H,28,31,32);4-8,13-14,16,26H,9-12H2,1-3H3,(H,27,30);8-9,11H,4-7,14H2,1-3H3;1-5H,(H,13,14);1-7H,(H,10,11);3H,1-2H2,(H,7,8,9);1H3;1H/i;;;;;;;;1D;.
What are the key properties of 6-bromo-1H-benzo[cd]indol-2-one;3-bromopiperidine-2,6-dione;tert-butyl 4-(4-aminopyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[(2-oxo-1H-benzo[cd]indol-6-yl)amino]pyrazol-1-yl]piperidine-1-carboxylate;3-[6-[[1-[1-(cubane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]amino]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;cubane-1-carboxylic acid;deuterio(fluoro)methane;3-[2-oxo-6-[(1-piperidin-4-ylpyrazol-4-yl)amino]benzo[cd]indol-1-yl]piperidine-2,6-dione;hydrochloride?
6-bromo-1H-benzo[cd]indol-2-one;3-bromopiperidine-2,6-dione;tert-butyl 4-(4-aminopyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[(2-oxo-1H-benzo[cd]indol-6-yl)amino]pyrazol-1-yl]piperidine-1-carboxylate;3-[6-[[1-[1-(cubane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]amino]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;cubane-1-carboxylic acid;deuterio(fluoro)methane;3-[2-oxo-6-[(1-piperidin-4-ylpyrazol-4-yl)amino]benzo[cd]indol-1-yl]piperidine-2,6-dione;hydrochloride has a molecular weight of 2923.36 g/mol, XLogP of 21.42, 18 rotatable bonds, 13 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1H-benzo[cd]indol-2-one;3-bromopiperidine-2,6-dione;tert-butyl 4-(4-aminopyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[(2-oxo-1H-benzo[cd]indol-6-yl)amino]pyrazol-1-yl]piperidine-1-carboxylate;3-[6-[[1-[1-(cubane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]amino]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;cubane-1-carboxylic acid;deuterio(fluoro)methane;3-[2-oxo-6-[(1-piperidin-4-ylpyrazol-4-yl)amino]benzo[cd]indol-1-yl]piperidine-2,6-dione;hydrochloride is sourced from PubChem (CID 167578278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).