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

C141H181Br2N29O23 — CID 167591397

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]-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
SMILESCC(C)(C)OC(=O)N1CCC(n2cc(N)cn2)CC1.CC(C)(C)OC(=O)N1CCC(n2cc(NC(=O)OCc3ccccc3)cn2)CC1.CN(C(=O)OCc1ccccc1)c1cnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1.CN(c1cnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1)c1ccc2c3c(cccc13)C(=O)N2.CN(c1cnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1)c1ccc2c3c(cccc13)C(=O)N2C1CCC(=O)NC1=O.CNc1cnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1.O=C1CCC(Br)C(=O)N1.O=C1Nc2ccc(Br)c3cccc1c23.[H][H]
InChIInChI=1S/C30H34N6O5.C25H29N5O3.C22H30N4O4.C21H28N4O4.C14H24N4O2.C13H22N4O2.C11H6BrNO.C5H6BrNO2.H2/c1-30(2,3)41-29(40)34-14-12-18(13-15-34)35-17-19(16-31-35)33(4)22-8-9-23-26-20(22)6-5-7-21(26)28(39)36(23)24-10-11-25(37)32-27(24)38;1-25(2,3)33-24(32)29-12-10-16(11-13-29)30-15-17(14-26-30)28(4)21-9-8-20-22-18(21)6-5-7-19(22)23(31)27-20;1-22(2,3)30-21(28)25-12-10-18(11-13-25)26-15-19(14-23-26)24(4)20(27)29-16-17-8-6-5-7-9-17;1-21(2,3)29-20(27)24-11-9-18(10-12-24)25-14-17(13-22-25)23-19(26)28-15-16-7-5-4-6-8-16;1-14(2,3)20-13(19)17-7-5-12(6-8-17)18-10-11(15-4)9-16-18;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;6-3-1-2-4(8)7-5(3)9;/h5-9,16-18,24H,10-15H2,1-4H3,(H,32,37,38);5-9,14-16H,10-13H2,1-4H3,(H,27,31);5-9,14-15,18H,10-13,16H2,1-4H3;4-8,13-14,18H,9-12,15H2,1-3H3,(H,23,26);9-10,12,15H,5-8H2,1-4H3;8-9,11H,4-7,14H2,1-3H3;1-5H,(H,13,14);3H,1-2H2,(H,7,8,9);1H
InChIKeyIMFHGTZYUPEFCK-UHFFFAOYSA-N
MW2809.99 g/mol
LogP25.65
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]-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

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 (PubChem CID 167591397) has the molecular formula C141H181Br2N29O23 and a molecular weight of 2809.99 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]-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.

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]-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
PubChem CID167591397
Molecular FormulaC141H181Br2N29O23
Molecular Weight2809.99 g/mol
Exact Mass2806.23
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]-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
SMILESCC(C)(C)OC(=O)N1CCC(n2cc(N)cn2)CC1.CC(C)(C)OC(=O)N1CCC(n2cc(NC(=O)OCc3ccccc3)cn2)CC1.CN(C(=O)OCc1ccccc1)c1cnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1.CN(c1cnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1)c1ccc2c3c(cccc13)C(=O)N2.CN(c1cnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1)c1ccc2c3c(cccc13)C(=O)N2C1CCC(=O)NC1=O.CNc1cnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1.O=C1CCC(Br)C(=O)N1.O=C1Nc2ccc(Br)c3cccc1c23.[H][H]
InChIInChI=1S/C30H34N6O5.C25H29N5O3.C22H30N4O4.C21H28N4O4.C14H24N4O2.C13H22N4O2.C11H6BrNO.C5H6BrNO2.H2/c1-30(2,3)41-29(40)34-14-12-18(13-15-34)35-17-19(16-31-35)33(4)22-8-9-23-26-20(22)6-5-7-21(26)28(39)36(23)24-10-11-25(37)32-27(24)38;1-25(2,3)33-24(32)29-12-10-16(11-13-29)30-15-17(14-26-30)28(4)21-9-8-20-22-18(21)6-5-7-19(22)23(31)27-20;1-22(2,3)30-21(28)25-12-10-18(11-13-25)26-15-19(14-23-26)24(4)20(27)29-16-17-8-6-5-7-9-17;1-21(2,3)29-20(27)24-11-9-18(10-12-24)25-14-17(13-22-25)23-19(26)28-15-16-7-5-4-6-8-16;1-14(2,3)20-13(19)17-7-5-12(6-8-17)18-10-11(15-4)9-16-18;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;6-3-1-2-4(8)7-5(3)9;/h5-9,16-18,24H,10-15H2,1-4H3,(H,32,37,38);5-9,14-16H,10-13H2,1-4H3,(H,27,31);5-9,14-15,18H,10-13,16H2,1-4H3;4-8,13-14,18H,9-12,15H2,1-3H3,(H,23,26);9-10,12,15H,5-8H2,1-4H3;8-9,11H,4-7,14H2,1-3H3;1-5H,(H,13,14);3H,1-2H2,(H,7,8,9);1H
InChIKeyIMFHGTZYUPEFCK-UHFFFAOYSA-N
XLogP25.65
TPSA567.41 Ų
H-Bond Donors7
H-Bond Acceptors39
Rotatable Bonds18
Heavy Atoms195
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002809.99
LogP ≤ 525.65
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1039

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]-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 with MolForge

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Related Compounds

5-bromo-1H-benzo[cd]indol-2-one;3-bromopiperidine-2,6-dione;tert-butyl 4-[4-[[tert-butyl(diphenyl)silyl]oxy-(2-oxo-1H-benzo[cd]indol-6-yl)methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[1-[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]ethyl]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;methane
CID 167533498
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
3-bromopiperidine-2,6-dione;tert-butyl 4-[4-[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indole-6-carbonyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[hydroxy-(2-oxobenzo[cd]indol-6-ylidene)methyl]pyrazol-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
CID 167541786
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
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
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]indole-6-carbonyl]pyrazol-1-yl]-4-methylpiperidine-1-carboxylate;tert-butyl 4-(4-formylpyrazol-1-yl)-4-methylpiperidine-1-carboxylate;tert-butyl 4-[4-[hydroxy-(2-oxobenzo[cd]indol-6-ylidene)methyl]pyrazol-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
CID 167588597
6-bromo-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;tert-butyl 4-(4-amino-3-chloropyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-[3-chloro-4-[[1-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indol-6-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[3-chloro-4-[(2-oxo-1H-benzo[cd]indol-6-yl)amino]pyrazol-1-yl]piperidine-1-carboxylate;6-[[3-chloro-1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]amino]-1H-benzo[cd]indol-2-one;6-[(3-chloro-1-piperidin-4-ylpyrazol-4-yl)amino]-1H-benzo[cd]indol-2-one;1-methylcyclobutane-1-carboxylic acid
CID 167598014
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]-4-methylpiperidine-1-carboxylate;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-(4-methylpiperidin-4-yl)pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;3-[6-[[1-(4-methylpiperidin-4-yl)pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;hydrochloride
CID 167665354
bis(3-bromopiperidine-2,6-dione);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;6-[[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]amino]-1H-benzo[cd]indol-2-one;3-[6-[[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]amino]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;molecular hydrogen
CID 167673541
bis(3-bromopiperidine-2,6-dione);bis(6-[[1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one);bis(3-[6-[[1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione)
CID 167696846
1H-benzo[cd]indol-2-one;6-bromo-1H-benzo[cd]indol-2-one;3-bromopiperidine-2,6-dione;tert-butyl 4-[(3-amino-2-formylprop-2-enylidene)amino]piperidine-1-carboxylate;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-[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 167711112

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]-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?
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]-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) 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]-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.
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]-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?
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]-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 is CC(C)(C)OC(=O)N1CCC(n2cc(N)cn2)CC1.CC(C)(C)OC(=O)N1CCC(n2cc(NC(=O)OCc3ccccc3)cn2)CC1.CN(C(=O)OCc1ccccc1)c1cnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1.CN(c1cnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1)c1ccc2c3c(cccc13)C(=O)N2.CN(c1cnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1)c1ccc2c3c(cccc13)C(=O)N2C1CCC(=O)NC1=O.CNc1cnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1.O=C1CCC(Br)C(=O)N1.O=C1Nc2ccc(Br)c3cccc1c23.[H][H].
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]-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?
The InChIKey is IMFHGTZYUPEFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N6O5.C25H29N5O3.C22H30N4O4.C21H28N4O4.C14H24N4O2.C13H22N4O2.C11H6BrNO.C5H6BrNO2.H2/c1-30(2,3)41-29(40)34-14-12-18(13-15-34)35-17-19(16-31-35)33(4)22-8-9-23-26-20(22)6-5-7-21(26)28(39)36(23)24-10-11-25(37)32-27(24)38;1-25(2,3)33-24(32)29-12-10-16(11-13-29)30-15-17(14-26-30)28(4)21-9-8-20-22-18(21)6-5-7-19(22)23(31)27-20;1-22(2,3)30-21(28)25-12-10-18(11-13-25)26-15-19(14-23-26)24(4)20(27)29-16-17-8-6-5-7-9-17;1-21(2,3)29-20(27)24-11-9-18(10-12-24)25-14-17(13-22-25)23-19(26)28-15-16-7-5-4-6-8-16;1-14(2,3)20-13(19)17-7-5-12(6-8-17)18-10-11(15-4)9-16-18;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;6-3-1-2-4(8)7-5(3)9;/h5-9,16-18,24H,10-15H2,1-4H3,(H,32,37,38);5-9,14-16H,10-13H2,1-4H3,(H,27,31);5-9,14-15,18H,10-13,16H2,1-4H3;4-8,13-14,18H,9-12,15H2,1-3H3,(H,23,26);9-10,12,15H,5-8H2,1-4H3;8-9,11H,4-7,14H2,1-3H3;1-5H,(H,13,14);3H,1-2H2,(H,7,8,9);1H.
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]-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?
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 has a molecular weight of 2809.99 g/mol, XLogP of 25.65, 18 rotatable bonds, 7 hydrogen bond donors, and 39 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]-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 is sourced from PubChem (CID 167591397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).