3-bromopiperidine-2,6-dione;tert-butyl 4-[3-chloro-4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[3-chloro-4-[[1-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[3-chloro-4-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]pyrazol-1-yl]piperidine-1-carboxylate;6-[(3-chloro-1-piperidin-4-ylpyrazol-4-yl)methyl]-1H-benzo[cd]indol-2-one;3-[6-[(3-chloro-1-piperidin-4-ylpyrazol-4-yl)methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;1-methylcyclobutane-1-carbaldehyde;hydrochloride

C144H154BrCl6N23O19 — CID 167700150

IUPAC3-bromopiperidine-2,6-dione;tert-butyl 4-[3-chloro-4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[3-chloro-4-[[1-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[3-chloro-4-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]pyrazol-1-yl]piperidine-1-carboxylate;6-[(3-chloro-1-piperidin-4-ylpyrazol-4-yl)methyl]-1H-benzo[cd]indol-2-one;3-[6-[(3-chloro-1-piperidin-4-ylpyrazol-4-yl)methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;1-methylcyclobutane-1-carbaldehyde;hydrochloride
SMILESCC(C)(C)OC(=O)N1CCC(n2cc(Cc3ccc4c5c(cccc35)C(=O)N4)c(Cl)n2)CC1.CC(C)(C)OC(=O)N1CCC(n2cc(Cc3ccc4c5c(cccc35)C(=O)N4C3CCC(=O)NC3=O)c(Cl)n2)CC1.CC1(C=O)CCC1.COc1ccc(CN2C(=O)c3cccc4c(Cc5cn(C6CCN(C(=O)OC(C)(C)C)CC6)nc5Cl)ccc2c34)cc1.Cl.O=C1CCC(Br)C(=O)N1.O=C1CCC(N2C(=O)c3cccc4c(Cc5cn(C6CCNCC6)nc5Cl)ccc2c34)C(=O)N1.O=C1Nc2ccc(Cc3cn(C4CCNCC4)nc3Cl)c3cccc1c23
InChIInChI=1S/C33H35ClN4O4.C30H32ClN5O5.C25H24ClN5O3.C25H27ClN4O3.C20H19ClN4O.C6H10O.C5H6BrNO2.ClH/c1-33(2,3)42-32(40)36-16-14-24(15-17-36)38-20-23(30(34)35-38)18-22-10-13-28-29-26(22)6-5-7-27(29)31(39)37(28)19-21-8-11-25(41-4)12-9-21;1-30(2,3)41-29(40)34-13-11-19(12-14-34)35-16-18(26(31)33-35)15-17-7-8-22-25-20(17)5-4-6-21(25)28(39)36(22)23-9-10-24(37)32-27(23)38;26-23-15(13-30(29-23)16-8-10-27-11-9-16)12-14-4-5-19-22-17(14)2-1-3-18(22)25(34)31(19)20-6-7-21(32)28-24(20)33;1-25(2,3)33-24(32)29-11-9-17(10-12-29)30-14-16(22(26)28-30)13-15-7-8-20-21-18(15)5-4-6-19(21)23(31)27-20;21-19-13(11-25(24-19)14-6-8-22-9-7-14)10-12-4-5-17-18-15(12)2-1-3-16(18)20(26)23-17;1-6(5-7)3-2-4-6;6-3-1-2-4(8)7-5(3)9;/h5-13,20,24H,14-19H2,1-4H3;4-8,16,19,23H,9-15H2,1-3H3,(H,32,37,38);1-5,13,16,20,27H,6-12H2,(H,28,32,33);4-8,14,17H,9-13H2,1-3H3,(H,27,31);1-5,11,14,22H,6-10H2,(H,23,26);5H,2-4H2,1H3;3H,1-2H2,(H,7,8,9);1H
InChIKeyDLUYIVZYRBRNKU-UHFFFAOYSA-N
MW2803.58 g/mol
LogP25.78
Rot. Bonds21

About 3-bromopiperidine-2,6-dione;tert-butyl 4-[3-chloro-4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[3-chloro-4-[[1-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[3-chloro-4-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]pyrazol-1-yl]piperidine-1-carboxylate;6-[(3-chloro-1-piperidin-4-ylpyrazol-4-yl)methyl]-1H-benzo[cd]indol-2-one;3-[6-[(3-chloro-1-piperidin-4-ylpyrazol-4-yl)methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;1-methylcyclobutane-1-carbaldehyde;hydrochloride

3-bromopiperidine-2,6-dione;tert-butyl 4-[3-chloro-4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[3-chloro-4-[[1-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[3-chloro-4-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]pyrazol-1-yl]piperidine-1-carboxylate;6-[(3-chloro-1-piperidin-4-ylpyrazol-4-yl)methyl]-1H-benzo[cd]indol-2-one;3-[6-[(3-chloro-1-piperidin-4-ylpyrazol-4-yl)methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;1-methylcyclobutane-1-carbaldehyde;hydrochloride (PubChem CID 167700150) has the molecular formula C144H154BrCl6N23O19 and a molecular weight of 2803.58 g/mol. Its IUPAC name is 3-bromopiperidine-2,6-dione;tert-butyl 4-[3-chloro-4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[3-chloro-4-[[1-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[3-chloro-4-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]pyrazol-1-yl]piperidine-1-carboxylate;6-[(3-chloro-1-piperidin-4-ylpyrazol-4-yl)methyl]-1H-benzo[cd]indol-2-one;3-[6-[(3-chloro-1-piperidin-4-ylpyrazol-4-yl)methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;1-methylcyclobutane-1-carbaldehyde;hydrochloride.

Molecular Properties

Compound Name3-bromopiperidine-2,6-dione;tert-butyl 4-[3-chloro-4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[3-chloro-4-[[1-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[3-chloro-4-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]pyrazol-1-yl]piperidine-1-carboxylate;6-[(3-chloro-1-piperidin-4-ylpyrazol-4-yl)methyl]-1H-benzo[cd]indol-2-one;3-[6-[(3-chloro-1-piperidin-4-ylpyrazol-4-yl)methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;1-methylcyclobutane-1-carbaldehyde;hydrochloride
PubChem CID167700150
Molecular FormulaC144H154BrCl6N23O19
Molecular Weight2803.58 g/mol
Exact Mass2797.91
IUPAC Name3-bromopiperidine-2,6-dione;tert-butyl 4-[3-chloro-4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[3-chloro-4-[[1-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[3-chloro-4-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]pyrazol-1-yl]piperidine-1-carboxylate;6-[(3-chloro-1-piperidin-4-ylpyrazol-4-yl)methyl]-1H-benzo[cd]indol-2-one;3-[6-[(3-chloro-1-piperidin-4-ylpyrazol-4-yl)methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;1-methylcyclobutane-1-carbaldehyde;hydrochloride
SMILESCC(C)(C)OC(=O)N1CCC(n2cc(Cc3ccc4c5c(cccc35)C(=O)N4)c(Cl)n2)CC1.CC(C)(C)OC(=O)N1CCC(n2cc(Cc3ccc4c5c(cccc35)C(=O)N4C3CCC(=O)NC3=O)c(Cl)n2)CC1.CC1(C=O)CCC1.COc1ccc(CN2C(=O)c3cccc4c(Cc5cn(C6CCN(C(=O)OC(C)(C)C)CC6)nc5Cl)ccc2c34)cc1.Cl.O=C1CCC(Br)C(=O)N1.O=C1CCC(N2C(=O)c3cccc4c(Cc5cn(C6CCNCC6)nc5Cl)ccc2c34)C(=O)N1.O=C1Nc2ccc(Cc3cn(C4CCNCC4)nc3Cl)c3cccc1c23
InChIInChI=1S/C33H35ClN4O4.C30H32ClN5O5.C25H24ClN5O3.C25H27ClN4O3.C20H19ClN4O.C6H10O.C5H6BrNO2.ClH/c1-33(2,3)42-32(40)36-16-14-24(15-17-36)38-20-23(30(34)35-38)18-22-10-13-28-29-26(22)6-5-7-27(29)31(39)37(28)19-21-8-11-25(41-4)12-9-21;1-30(2,3)41-29(40)34-13-11-19(12-14-34)35-16-18(26(31)33-35)15-17-7-8-22-25-20(17)5-4-6-21(25)28(39)36(22)23-9-10-24(37)32-27(23)38;26-23-15(13-30(29-23)16-8-10-27-11-9-16)12-14-4-5-19-22-17(14)2-1-3-18(22)25(34)31(19)20-6-7-21(32)28-24(20)33;1-25(2,3)33-24(32)29-11-9-17(10-12-29)30-14-16(22(26)28-30)13-15-7-8-20-21-18(15)5-4-6-19(21)23(31)27-20;21-19-13(11-25(24-19)14-6-8-22-9-7-14)10-12-4-5-17-18-15(12)2-1-3-16(18)20(26)23-17;1-6(5-7)3-2-4-6;6-3-1-2-4(8)7-5(3)9;/h5-13,20,24H,14-19H2,1-4H3;4-8,16,19,23H,9-15H2,1-3H3,(H,32,37,38);1-5,13,16,20,27H,6-12H2,(H,28,32,33);4-8,14,17H,9-13H2,1-3H3,(H,27,31);1-5,11,14,22H,6-10H2,(H,23,26);5H,2-4H2,1H3;3H,1-2H2,(H,7,8,9);1H
InChIKeyDLUYIVZYRBRNKU-UHFFFAOYSA-N
XLogP25.78
TPSA485.72 Ų
H-Bond Donors7
H-Bond Acceptors31
Rotatable Bonds21
Heavy Atoms193
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002803.58
LogP ≤ 525.78
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

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

Analyze 3-bromopiperidine-2,6-dione;tert-butyl 4-[3-chloro-4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[3-chloro-4-[[1-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[3-chloro-4-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]pyrazol-1-yl]piperidine-1-carboxylate;6-[(3-chloro-1-piperidin-4-ylpyrazol-4-yl)methyl]-1H-benzo[cd]indol-2-one;3-[6-[(3-chloro-1-piperidin-4-ylpyrazol-4-yl)methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;1-methylcyclobutane-1-carbaldehyde;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
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-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
3-bromopiperidine-2,6-dione;tert-butyl 4-[4-[1-[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]cyclopropyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[1-[1-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indol-6-yl]cyclopropyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[1-(2-oxo-1H-benzo[cd]indol-6-yl)cyclopropyl]pyrazol-1-yl]piperidine-1-carboxylate;1-methylcyclobutane-1-carbaldehyde;3-[6-[1-[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]cyclopropyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;1-methylcyclobutane-1-carboxylic acid;3-[6-[1-[1-[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]pyrazol-4-yl]cyclopropyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[2-oxo-6-[1-(1-piperidin-4-ylpyrazol-4-yl)cyclopropyl]benzo[cd]indol-1-yl]piperidine-2,6-dione;6-[1-(1-piperidin-4-ylpyrazol-4-yl)cyclopropyl]-1H-benzo[cd]indol-2-one;hydrochloride
CID 167611037
3-bromopiperidine-2,6-dione;tert-butyl 4-[3-chloro-4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[3-chloro-4-[hydroxy-(2-oxo-1H-benzo[cd]indol-6-yl)methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[3-chloro-4-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]pyrazol-1-yl]piperidine-1-carboxylate;3-[6-[[3-chloro-1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[(3-chloro-1-piperidin-4-ylpyrazol-4-yl)methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;1-methylcyclobutane-1-carboxylic acid;hydrochloride
CID 167618409
3-bromopiperidine-2,6-dione;1-[(4-methoxyphenyl)methyl]-6-[[4-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-1-yl]methyl]benzo[cd]indol-2-one;6-[[4-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-1-yl]methyl]-1H-benzo[cd]indol-2-one;3-[6-[[4-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-1-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione
CID 167624107
bis(3-bromopiperidine-2,6-dione);6-[[3-[[4-(2-fluoro-4-isocyanophenyl)piperazin-1-yl]methyl]pyrazol-1-yl]methyl]-1H-benzo[cd]indol-2-one;6-[[5-[[4-(2-fluoro-4-isocyanophenyl)piperazin-1-yl]methyl]pyrazol-1-yl]methyl]-1H-benzo[cd]indol-2-one;6-[[3-[[4-(2-fluoro-4-isocyanophenyl)piperazin-1-yl]methyl]pyrazol-1-yl]methyl]-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;6-[[5-[[4-(2-fluoro-4-isocyanophenyl)piperazin-1-yl]methyl]pyrazol-1-yl]methyl]-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;3-[6-[[3-[[4-(2-fluoro-4-isocyanophenyl)piperazin-1-yl]methyl]pyrazol-1-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[[5-[[4-(2-fluoro-4-isocyanophenyl)piperazin-1-yl]methyl]pyrazol-1-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione
CID 167643880
3-bromopiperidine-2,6-dione;tert-butyl 4-(4-cyano-2-fluorophenyl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;6-(chloromethyl)-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;3,4-difluorobenzonitrile;4-[4-[[1-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-4-yl]methyl]piperazin-1-yl]-3-fluorobenzonitrile;3-fluoro-4-[4-[[1-[[1-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-4-yl]methyl]piperazin-1-yl]benzonitrile;3-fluoro-4-[4-[[1-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]pyrazol-4-yl]methyl]piperazin-1-yl]benzonitrile;3-fluoro-4-piperazin-1-ylbenzonitrile;3-fluoro-4-[4-(1H-pyrazol-4-ylmethyl)piperazin-1-yl]benzonitrile;1H-pyrazole-4-carbaldehyde;hydrochloride
CID 167648540
6-(azidomethyl)-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;3-bromopiperidine-2,6-dione;tert-butyl 4-ethynylpiperidine-1-carboxylate;tert-butyl 4-[1-[[1-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indol-6-yl]methyl]triazol-4-yl]piperidine-1-carboxylate;6-(chloromethyl)-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;6-[[4-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]triazol-1-yl]methyl]-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;1-[(4-methoxyphenyl)methyl]-6-[(4-piperidin-4-yltriazol-1-yl)methyl]benzo[cd]indol-2-one;6-[[4-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]triazol-1-yl]methyl]-1H-benzo[cd]indol-2-one;3-[6-[[4-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]triazol-1-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;1-methylcyclobutane-1-carboxylic acid
CID 167651560
3-bromopiperidine-2,6-dione;tert-butyl 4-[3-chloro-5-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[3-chloro-5-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]pyrazol-1-yl]piperidine-1-carboxylate;3-[6-[[3-chloro-1-[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]pyrazol-5-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[(3-chloro-1-piperidin-4-ylpyrazol-5-yl)methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;1-methylcyclobutane-1-carbaldehyde;hydrochloride
CID 167652420
3-bromopiperidine-2,6-dione;6-(chloromethyl)-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;1-[(4-methoxyphenyl)methyl]-6-[[1-(oxan-2-yl)pyrazol-4-yl]methyl]benzo[cd]indol-2-one;1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;3-[2-oxo-6-[[1-(3-phenylmethoxycyclobutyl)pyrazol-4-yl]methyl]benzo[cd]indol-1-yl]piperidine-2,6-dione;(3-phenylmethoxycyclobutyl) methanesulfonate;6-[[1-(3-phenylmethoxycyclobutyl)pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;6-(1H-pyrazol-4-ylmethyl)-1H-benzo[cd]indol-2-one;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
CID 167657210
tert-butyl 4-[1-[[1-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-3-yl]piperidine-1-carboxylate;tert-butyl 4-(1H-pyrazol-5-yl)piperidine-1-carboxylate;6-(chloromethyl)-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;1-[(4-methoxyphenyl)methyl]-6-[[3-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-1-yl]methyl]benzo[cd]indol-2-one;1-[(4-methoxyphenyl)methyl]-6-[(3-piperidin-4-ylpyrazol-1-yl)methyl]benzo[cd]indol-2-one;bis(6-[[3-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-1-yl]methyl]-1H-benzo[cd]indol-2-one);1-methylcyclobutane-1-carboxylic acid;hydrochloride
CID 167662498

Frequently Asked Questions

What is the IUPAC name of 3-bromopiperidine-2,6-dione;tert-butyl 4-[3-chloro-4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[3-chloro-4-[[1-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[3-chloro-4-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]pyrazol-1-yl]piperidine-1-carboxylate;6-[(3-chloro-1-piperidin-4-ylpyrazol-4-yl)methyl]-1H-benzo[cd]indol-2-one;3-[6-[(3-chloro-1-piperidin-4-ylpyrazol-4-yl)methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;1-methylcyclobutane-1-carbaldehyde;hydrochloride?
The IUPAC name of 3-bromopiperidine-2,6-dione;tert-butyl 4-[3-chloro-4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[3-chloro-4-[[1-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[3-chloro-4-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]pyrazol-1-yl]piperidine-1-carboxylate;6-[(3-chloro-1-piperidin-4-ylpyrazol-4-yl)methyl]-1H-benzo[cd]indol-2-one;3-[6-[(3-chloro-1-piperidin-4-ylpyrazol-4-yl)methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;1-methylcyclobutane-1-carbaldehyde;hydrochloride (CID 167700150) is 3-bromopiperidine-2,6-dione;tert-butyl 4-[3-chloro-4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[3-chloro-4-[[1-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[3-chloro-4-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]pyrazol-1-yl]piperidine-1-carboxylate;6-[(3-chloro-1-piperidin-4-ylpyrazol-4-yl)methyl]-1H-benzo[cd]indol-2-one;3-[6-[(3-chloro-1-piperidin-4-ylpyrazol-4-yl)methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;1-methylcyclobutane-1-carbaldehyde;hydrochloride.
What is the SMILES notation for 3-bromopiperidine-2,6-dione;tert-butyl 4-[3-chloro-4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[3-chloro-4-[[1-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[3-chloro-4-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]pyrazol-1-yl]piperidine-1-carboxylate;6-[(3-chloro-1-piperidin-4-ylpyrazol-4-yl)methyl]-1H-benzo[cd]indol-2-one;3-[6-[(3-chloro-1-piperidin-4-ylpyrazol-4-yl)methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;1-methylcyclobutane-1-carbaldehyde;hydrochloride?
The canonical SMILES for 3-bromopiperidine-2,6-dione;tert-butyl 4-[3-chloro-4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[3-chloro-4-[[1-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[3-chloro-4-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]pyrazol-1-yl]piperidine-1-carboxylate;6-[(3-chloro-1-piperidin-4-ylpyrazol-4-yl)methyl]-1H-benzo[cd]indol-2-one;3-[6-[(3-chloro-1-piperidin-4-ylpyrazol-4-yl)methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;1-methylcyclobutane-1-carbaldehyde;hydrochloride is CC(C)(C)OC(=O)N1CCC(n2cc(Cc3ccc4c5c(cccc35)C(=O)N4)c(Cl)n2)CC1.CC(C)(C)OC(=O)N1CCC(n2cc(Cc3ccc4c5c(cccc35)C(=O)N4C3CCC(=O)NC3=O)c(Cl)n2)CC1.CC1(C=O)CCC1.COc1ccc(CN2C(=O)c3cccc4c(Cc5cn(C6CCN(C(=O)OC(C)(C)C)CC6)nc5Cl)ccc2c34)cc1.Cl.O=C1CCC(Br)C(=O)N1.O=C1CCC(N2C(=O)c3cccc4c(Cc5cn(C6CCNCC6)nc5Cl)ccc2c34)C(=O)N1.O=C1Nc2ccc(Cc3cn(C4CCNCC4)nc3Cl)c3cccc1c23.
What is the InChIKey of 3-bromopiperidine-2,6-dione;tert-butyl 4-[3-chloro-4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[3-chloro-4-[[1-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[3-chloro-4-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]pyrazol-1-yl]piperidine-1-carboxylate;6-[(3-chloro-1-piperidin-4-ylpyrazol-4-yl)methyl]-1H-benzo[cd]indol-2-one;3-[6-[(3-chloro-1-piperidin-4-ylpyrazol-4-yl)methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;1-methylcyclobutane-1-carbaldehyde;hydrochloride?
The InChIKey is DLUYIVZYRBRNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35ClN4O4.C30H32ClN5O5.C25H24ClN5O3.C25H27ClN4O3.C20H19ClN4O.C6H10O.C5H6BrNO2.ClH/c1-33(2,3)42-32(40)36-16-14-24(15-17-36)38-20-23(30(34)35-38)18-22-10-13-28-29-26(22)6-5-7-27(29)31(39)37(28)19-21-8-11-25(41-4)12-9-21;1-30(2,3)41-29(40)34-13-11-19(12-14-34)35-16-18(26(31)33-35)15-17-7-8-22-25-20(17)5-4-6-21(25)28(39)36(22)23-9-10-24(37)32-27(23)38;26-23-15(13-30(29-23)16-8-10-27-11-9-16)12-14-4-5-19-22-17(14)2-1-3-18(22)25(34)31(19)20-6-7-21(32)28-24(20)33;1-25(2,3)33-24(32)29-11-9-17(10-12-29)30-14-16(22(26)28-30)13-15-7-8-20-21-18(15)5-4-6-19(21)23(31)27-20;21-19-13(11-25(24-19)14-6-8-22-9-7-14)10-12-4-5-17-18-15(12)2-1-3-16(18)20(26)23-17;1-6(5-7)3-2-4-6;6-3-1-2-4(8)7-5(3)9;/h5-13,20,24H,14-19H2,1-4H3;4-8,16,19,23H,9-15H2,1-3H3,(H,32,37,38);1-5,13,16,20,27H,6-12H2,(H,28,32,33);4-8,14,17H,9-13H2,1-3H3,(H,27,31);1-5,11,14,22H,6-10H2,(H,23,26);5H,2-4H2,1H3;3H,1-2H2,(H,7,8,9);1H.
What are the key properties of 3-bromopiperidine-2,6-dione;tert-butyl 4-[3-chloro-4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[3-chloro-4-[[1-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[3-chloro-4-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]pyrazol-1-yl]piperidine-1-carboxylate;6-[(3-chloro-1-piperidin-4-ylpyrazol-4-yl)methyl]-1H-benzo[cd]indol-2-one;3-[6-[(3-chloro-1-piperidin-4-ylpyrazol-4-yl)methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;1-methylcyclobutane-1-carbaldehyde;hydrochloride?
3-bromopiperidine-2,6-dione;tert-butyl 4-[3-chloro-4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[3-chloro-4-[[1-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[3-chloro-4-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]pyrazol-1-yl]piperidine-1-carboxylate;6-[(3-chloro-1-piperidin-4-ylpyrazol-4-yl)methyl]-1H-benzo[cd]indol-2-one;3-[6-[(3-chloro-1-piperidin-4-ylpyrazol-4-yl)methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;1-methylcyclobutane-1-carbaldehyde;hydrochloride has a molecular weight of 2803.58 g/mol, XLogP of 25.78, 21 rotatable bonds, 7 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromopiperidine-2,6-dione;tert-butyl 4-[3-chloro-4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[3-chloro-4-[[1-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[3-chloro-4-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]pyrazol-1-yl]piperidine-1-carboxylate;6-[(3-chloro-1-piperidin-4-ylpyrazol-4-yl)methyl]-1H-benzo[cd]indol-2-one;3-[6-[(3-chloro-1-piperidin-4-ylpyrazol-4-yl)methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;1-methylcyclobutane-1-carbaldehyde;hydrochloride is sourced from PubChem (CID 167700150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).