azane;2-bromo-1,1-diethoxyethane;3-bromopiperidine-2,6-dione;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[4-[1-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indol-6-yl]oxypyrazol-1-yl]piperidine-1-carboxylate;6-(2,2-diethoxyethoxy)-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;(E)-3-(dimethylamino)-2-[1-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indol-6-yl]oxyprop-2-enal;6-hydroxy-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;6-[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]oxy-1H-benzo[cd]indol-2-one;3-[6-[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]oxy-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;1-methylcyclobutane-1-carboxylic acid;6-(1-piperidin-4-ylpyrazol-4-yl)oxy-1H-benzo[cd]indol-2-one

C201H225Br2N25O35 — CID 167591102

IUPACazane;2-bromo-1,1-diethoxyethane;3-bromopiperidine-2,6-dione;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[4-[1-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indol-6-yl]oxypyrazol-1-yl]piperidine-1-carboxylate;6-(2,2-diethoxyethoxy)-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;(E)-3-(dimethylamino)-2-[1-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indol-6-yl]oxyprop-2-enal;6-hydroxy-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;6-[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]oxy-1H-benzo[cd]indol-2-one;3-[6-[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]oxy-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;1-methylcyclobutane-1-carboxylic acid;6-(1-piperidin-4-ylpyrazol-4-yl)oxy-1H-benzo[cd]indol-2-one
SMILESCC(C)(C)OC(=O)N1CCC(N)CC1.CC1(C(=O)N2CCC(n3cc(Oc4ccc5c6c(cccc46)C(=O)N5)cn3)CC2)CCC1.CC1(C(=O)N2CCC(n3cc(Oc4ccc5c6c(cccc46)C(=O)N5C4CCC(=O)NC4=O)cn3)CC2)CCC1.CC1(C(=O)O)CCC1.CCOC(CBr)OCC.CCOC(COc1ccc2c3c(cccc13)C(=O)N2Cc1ccc(OC)cc1)OCC.COc1ccc(CN2C(=O)c3cccc4c(O)ccc2c34)cc1.COc1ccc(CN2C(=O)c3cccc4c(O/C(C=O)=C/N(C)C)ccc2c34)cc1.COc1ccc(CN2C(=O)c3cccc4c(Oc5cnn(C6CCN(C(=O)OC(C)(C)C)CC6)c5)ccc2c34)cc1.N.O=C1CCC(Br)C(=O)N1.O=C1Nc2ccc(Oc3cnn(C4CCNCC4)c3)c3cccc1c23
InChIInChI=1S/C32H34N4O5.C30H31N5O5.C25H26N4O3.C25H27NO5.C24H22N2O4.C19H18N4O2.C19H15NO3.C10H20N2O2.C6H13BrO2.C6H10O2.C5H6BrNO2.H3N/c1-32(2,3)41-31(38)34-16-14-22(15-17-34)36-20-24(18-33-36)40-28-13-12-27-29-25(28)6-5-7-26(29)30(37)35(27)19-21-8-10-23(39-4)11-9-21;1-30(12-3-13-30)29(39)33-14-10-18(11-15-33)34-17-19(16-31-34)40-24-8-6-22-26-20(24)4-2-5-21(26)28(38)35(22)23-7-9-25(36)32-27(23)37;1-25(10-3-11-25)24(31)28-12-8-16(9-13-28)29-15-17(14-26-29)32-21-7-6-20-22-18(21)4-2-5-19(22)23(30)27-20;1-4-29-23(30-5-2)16-31-22-14-13-21-24-19(22)7-6-8-20(24)25(27)26(21)15-17-9-11-18(28-3)12-10-17;1-25(2)14-18(15-27)30-22-12-11-21-23-19(22)5-4-6-20(23)24(28)26(21)13-16-7-9-17(29-3)10-8-16;24-19-15-3-1-2-14-17(5-4-16(22-19)18(14)15)25-13-10-21-23(11-13)12-6-8-20-9-7-12;1-23-13-7-5-12(6-8-13)11-20-16-9-10-17(21)14-3-2-4-15(18(14)16)19(20)22;1-10(2,3)14-9(13)12-6-4-8(11)5-7-12;1-3-8-6(5-7)9-4-2;1-6(5(7)8)3-2-4-6;6-3-1-2-4(8)7-5(3)9;/h5-13,18,20,22H,14-17,19H2,1-4H3;2,4-6,8,16-18,23H,3,7,9-15H2,1H3,(H,32,36,37);2,4-7,14-16H,3,8-13H2,1H3,(H,27,30);6-14,23H,4-5,15-16H2,1-3H3;4-12,14-15H,13H2,1-3H3;1-5,10-12,20H,6-9H2,(H,22,24);2-10,21H,11H2,1H3;8H,4-7,11H2,1-3H3;6H,3-5H2,1-2H3;2-4H2,1H3,(H,7,8);3H,1-2H2,(H,7,8,9);1H3/b;;;;18-14+;;;;;;;
InChIKeyFBICVXBRLTYFIB-JMCBPVNPSA-N
MW3710.96 g/mol
LogP35.81
Rot. Bonds44

About azane;2-bromo-1,1-diethoxyethane;3-bromopiperidine-2,6-dione;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[4-[1-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indol-6-yl]oxypyrazol-1-yl]piperidine-1-carboxylate;6-(2,2-diethoxyethoxy)-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;(E)-3-(dimethylamino)-2-[1-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indol-6-yl]oxyprop-2-enal;6-hydroxy-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;6-[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]oxy-1H-benzo[cd]indol-2-one;3-[6-[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]oxy-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;1-methylcyclobutane-1-carboxylic acid;6-(1-piperidin-4-ylpyrazol-4-yl)oxy-1H-benzo[cd]indol-2-one

azane;2-bromo-1,1-diethoxyethane;3-bromopiperidine-2,6-dione;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[4-[1-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indol-6-yl]oxypyrazol-1-yl]piperidine-1-carboxylate;6-(2,2-diethoxyethoxy)-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;(E)-3-(dimethylamino)-2-[1-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indol-6-yl]oxyprop-2-enal;6-hydroxy-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;6-[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]oxy-1H-benzo[cd]indol-2-one;3-[6-[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]oxy-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;1-methylcyclobutane-1-carboxylic acid;6-(1-piperidin-4-ylpyrazol-4-yl)oxy-1H-benzo[cd]indol-2-one (PubChem CID 167591102) has the molecular formula C201H225Br2N25O35 and a molecular weight of 3710.96 g/mol. Its IUPAC name is azane;2-bromo-1,1-diethoxyethane;3-bromopiperidine-2,6-dione;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[4-[1-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indol-6-yl]oxypyrazol-1-yl]piperidine-1-carboxylate;6-(2,2-diethoxyethoxy)-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;(E)-3-(dimethylamino)-2-[1-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indol-6-yl]oxyprop-2-enal;6-hydroxy-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;6-[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]oxy-1H-benzo[cd]indol-2-one;3-[6-[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]oxy-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;1-methylcyclobutane-1-carboxylic acid;6-(1-piperidin-4-ylpyrazol-4-yl)oxy-1H-benzo[cd]indol-2-one.

Molecular Properties

Compound Nameazane;2-bromo-1,1-diethoxyethane;3-bromopiperidine-2,6-dione;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[4-[1-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indol-6-yl]oxypyrazol-1-yl]piperidine-1-carboxylate;6-(2,2-diethoxyethoxy)-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;(E)-3-(dimethylamino)-2-[1-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indol-6-yl]oxyprop-2-enal;6-hydroxy-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;6-[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]oxy-1H-benzo[cd]indol-2-one;3-[6-[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]oxy-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;1-methylcyclobutane-1-carboxylic acid;6-(1-piperidin-4-ylpyrazol-4-yl)oxy-1H-benzo[cd]indol-2-one
PubChem CID167591102
Molecular FormulaC201H225Br2N25O35
Molecular Weight3710.96 g/mol
Exact Mass3706.50
IUPAC Nameazane;2-bromo-1,1-diethoxyethane;3-bromopiperidine-2,6-dione;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[4-[1-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indol-6-yl]oxypyrazol-1-yl]piperidine-1-carboxylate;6-(2,2-diethoxyethoxy)-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;(E)-3-(dimethylamino)-2-[1-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indol-6-yl]oxyprop-2-enal;6-hydroxy-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;6-[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]oxy-1H-benzo[cd]indol-2-one;3-[6-[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]oxy-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;1-methylcyclobutane-1-carboxylic acid;6-(1-piperidin-4-ylpyrazol-4-yl)oxy-1H-benzo[cd]indol-2-one
SMILESCC(C)(C)OC(=O)N1CCC(N)CC1.CC1(C(=O)N2CCC(n3cc(Oc4ccc5c6c(cccc46)C(=O)N5)cn3)CC2)CCC1.CC1(C(=O)N2CCC(n3cc(Oc4ccc5c6c(cccc46)C(=O)N5C4CCC(=O)NC4=O)cn3)CC2)CCC1.CC1(C(=O)O)CCC1.CCOC(CBr)OCC.CCOC(COc1ccc2c3c(cccc13)C(=O)N2Cc1ccc(OC)cc1)OCC.COc1ccc(CN2C(=O)c3cccc4c(O)ccc2c34)cc1.COc1ccc(CN2C(=O)c3cccc4c(O/C(C=O)=C/N(C)C)ccc2c34)cc1.COc1ccc(CN2C(=O)c3cccc4c(Oc5cnn(C6CCN(C(=O)OC(C)(C)C)CC6)c5)ccc2c34)cc1.N.O=C1CCC(Br)C(=O)N1.O=C1Nc2ccc(Oc3cnn(C4CCNCC4)c3)c3cccc1c23
InChIInChI=1S/C32H34N4O5.C30H31N5O5.C25H26N4O3.C25H27NO5.C24H22N2O4.C19H18N4O2.C19H15NO3.C10H20N2O2.C6H13BrO2.C6H10O2.C5H6BrNO2.H3N/c1-32(2,3)41-31(38)34-16-14-22(15-17-34)36-20-24(18-33-36)40-28-13-12-27-29-25(28)6-5-7-26(29)30(37)35(27)19-21-8-10-23(39-4)11-9-21;1-30(12-3-13-30)29(39)33-14-10-18(11-15-33)34-17-19(16-31-34)40-24-8-6-22-26-20(24)4-2-5-21(26)28(38)35(22)23-7-9-25(36)32-27(23)37;1-25(10-3-11-25)24(31)28-12-8-16(9-13-28)29-15-17(14-26-29)32-21-7-6-20-22-18(21)4-2-5-19(22)23(30)27-20;1-4-29-23(30-5-2)16-31-22-14-13-21-24-19(22)7-6-8-20(24)25(27)26(21)15-17-9-11-18(28-3)12-10-17;1-25(2)14-18(15-27)30-22-12-11-21-23-19(22)5-4-6-20(23)24(28)26(21)13-16-7-9-17(29-3)10-8-16;24-19-15-3-1-2-14-17(5-4-16(22-19)18(14)15)25-13-10-21-23(11-13)12-6-8-20-9-7-12;1-23-13-7-5-12(6-8-13)11-20-16-9-10-17(21)14-3-2-4-15(18(14)16)19(20)22;1-10(2,3)14-9(13)12-6-4-8(11)5-7-12;1-3-8-6(5-7)9-4-2;1-6(5(7)8)3-2-4-6;6-3-1-2-4(8)7-5(3)9;/h5-13,18,20,22H,14-17,19H2,1-4H3;2,4-6,8,16-18,23H,3,7,9-15H2,1H3,(H,32,36,37);2,4-7,14-16H,3,8-13H2,1H3,(H,27,30);6-14,23H,4-5,15-16H2,1-3H3;4-12,14-15H,13H2,1-3H3;1-5,10-12,20H,6-9H2,(H,22,24);2-10,21H,11H2,1H3;8H,4-7,11H2,1-3H3;6H,3-5H2,1-2H3;2-4H2,1H3,(H,7,8);3H,1-2H2,(H,7,8,9);1H3/b;;;;18-14+;;;;;;;
InChIKeyFBICVXBRLTYFIB-JMCBPVNPSA-N
XLogP35.81
TPSA703.18 Ų
H-Bond Donors9
H-Bond Acceptors46
Rotatable Bonds44
Heavy Atoms263
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003710.96
LogP ≤ 535.81
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1046

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze azane;2-bromo-1,1-diethoxyethane;3-bromopiperidine-2,6-dione;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[4-[1-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indol-6-yl]oxypyrazol-1-yl]piperidine-1-carboxylate;6-(2,2-diethoxyethoxy)-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;(E)-3-(dimethylamino)-2-[1-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indol-6-yl]oxyprop-2-enal;6-hydroxy-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;6-[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]oxy-1H-benzo[cd]indol-2-one;3-[6-[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]oxy-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;1-methylcyclobutane-1-carboxylic acid;6-(1-piperidin-4-ylpyrazol-4-yl)oxy-1H-benzo[cd]indol-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of azane;2-bromo-1,1-diethoxyethane;3-bromopiperidine-2,6-dione;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[4-[1-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indol-6-yl]oxypyrazol-1-yl]piperidine-1-carboxylate;6-(2,2-diethoxyethoxy)-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;(E)-3-(dimethylamino)-2-[1-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indol-6-yl]oxyprop-2-enal;6-hydroxy-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;6-[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]oxy-1H-benzo[cd]indol-2-one;3-[6-[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]oxy-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;1-methylcyclobutane-1-carboxylic acid;6-(1-piperidin-4-ylpyrazol-4-yl)oxy-1H-benzo[cd]indol-2-one?
The IUPAC name of azane;2-bromo-1,1-diethoxyethane;3-bromopiperidine-2,6-dione;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[4-[1-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indol-6-yl]oxypyrazol-1-yl]piperidine-1-carboxylate;6-(2,2-diethoxyethoxy)-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;(E)-3-(dimethylamino)-2-[1-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indol-6-yl]oxyprop-2-enal;6-hydroxy-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;6-[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]oxy-1H-benzo[cd]indol-2-one;3-[6-[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]oxy-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;1-methylcyclobutane-1-carboxylic acid;6-(1-piperidin-4-ylpyrazol-4-yl)oxy-1H-benzo[cd]indol-2-one (CID 167591102) is azane;2-bromo-1,1-diethoxyethane;3-bromopiperidine-2,6-dione;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[4-[1-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indol-6-yl]oxypyrazol-1-yl]piperidine-1-carboxylate;6-(2,2-diethoxyethoxy)-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;(E)-3-(dimethylamino)-2-[1-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indol-6-yl]oxyprop-2-enal;6-hydroxy-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;6-[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]oxy-1H-benzo[cd]indol-2-one;3-[6-[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]oxy-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;1-methylcyclobutane-1-carboxylic acid;6-(1-piperidin-4-ylpyrazol-4-yl)oxy-1H-benzo[cd]indol-2-one.
What is the SMILES notation for azane;2-bromo-1,1-diethoxyethane;3-bromopiperidine-2,6-dione;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[4-[1-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indol-6-yl]oxypyrazol-1-yl]piperidine-1-carboxylate;6-(2,2-diethoxyethoxy)-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;(E)-3-(dimethylamino)-2-[1-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indol-6-yl]oxyprop-2-enal;6-hydroxy-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;6-[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]oxy-1H-benzo[cd]indol-2-one;3-[6-[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]oxy-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;1-methylcyclobutane-1-carboxylic acid;6-(1-piperidin-4-ylpyrazol-4-yl)oxy-1H-benzo[cd]indol-2-one?
The canonical SMILES for azane;2-bromo-1,1-diethoxyethane;3-bromopiperidine-2,6-dione;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[4-[1-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indol-6-yl]oxypyrazol-1-yl]piperidine-1-carboxylate;6-(2,2-diethoxyethoxy)-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;(E)-3-(dimethylamino)-2-[1-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indol-6-yl]oxyprop-2-enal;6-hydroxy-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;6-[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]oxy-1H-benzo[cd]indol-2-one;3-[6-[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]oxy-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;1-methylcyclobutane-1-carboxylic acid;6-(1-piperidin-4-ylpyrazol-4-yl)oxy-1H-benzo[cd]indol-2-one is CC(C)(C)OC(=O)N1CCC(N)CC1.CC1(C(=O)N2CCC(n3cc(Oc4ccc5c6c(cccc46)C(=O)N5)cn3)CC2)CCC1.CC1(C(=O)N2CCC(n3cc(Oc4ccc5c6c(cccc46)C(=O)N5C4CCC(=O)NC4=O)cn3)CC2)CCC1.CC1(C(=O)O)CCC1.CCOC(CBr)OCC.CCOC(COc1ccc2c3c(cccc13)C(=O)N2Cc1ccc(OC)cc1)OCC.COc1ccc(CN2C(=O)c3cccc4c(O)ccc2c34)cc1.COc1ccc(CN2C(=O)c3cccc4c(O/C(C=O)=C/N(C)C)ccc2c34)cc1.COc1ccc(CN2C(=O)c3cccc4c(Oc5cnn(C6CCN(C(=O)OC(C)(C)C)CC6)c5)ccc2c34)cc1.N.O=C1CCC(Br)C(=O)N1.O=C1Nc2ccc(Oc3cnn(C4CCNCC4)c3)c3cccc1c23.
What is the InChIKey of azane;2-bromo-1,1-diethoxyethane;3-bromopiperidine-2,6-dione;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[4-[1-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indol-6-yl]oxypyrazol-1-yl]piperidine-1-carboxylate;6-(2,2-diethoxyethoxy)-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;(E)-3-(dimethylamino)-2-[1-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indol-6-yl]oxyprop-2-enal;6-hydroxy-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;6-[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]oxy-1H-benzo[cd]indol-2-one;3-[6-[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]oxy-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;1-methylcyclobutane-1-carboxylic acid;6-(1-piperidin-4-ylpyrazol-4-yl)oxy-1H-benzo[cd]indol-2-one?
The InChIKey is FBICVXBRLTYFIB-JMCBPVNPSA-N. The full InChI is InChI=1S/C32H34N4O5.C30H31N5O5.C25H26N4O3.C25H27NO5.C24H22N2O4.C19H18N4O2.C19H15NO3.C10H20N2O2.C6H13BrO2.C6H10O2.C5H6BrNO2.H3N/c1-32(2,3)41-31(38)34-16-14-22(15-17-34)36-20-24(18-33-36)40-28-13-12-27-29-25(28)6-5-7-26(29)30(37)35(27)19-21-8-10-23(39-4)11-9-21;1-30(12-3-13-30)29(39)33-14-10-18(11-15-33)34-17-19(16-31-34)40-24-8-6-22-26-20(24)4-2-5-21(26)28(38)35(22)23-7-9-25(36)32-27(23)37;1-25(10-3-11-25)24(31)28-12-8-16(9-13-28)29-15-17(14-26-29)32-21-7-6-20-22-18(21)4-2-5-19(22)23(30)27-20;1-4-29-23(30-5-2)16-31-22-14-13-21-24-19(22)7-6-8-20(24)25(27)26(21)15-17-9-11-18(28-3)12-10-17;1-25(2)14-18(15-27)30-22-12-11-21-23-19(22)5-4-6-20(23)24(28)26(21)13-16-7-9-17(29-3)10-8-16;24-19-15-3-1-2-14-17(5-4-16(22-19)18(14)15)25-13-10-21-23(11-13)12-6-8-20-9-7-12;1-23-13-7-5-12(6-8-13)11-20-16-9-10-17(21)14-3-2-4-15(18(14)16)19(20)22;1-10(2,3)14-9(13)12-6-4-8(11)5-7-12;1-3-8-6(5-7)9-4-2;1-6(5(7)8)3-2-4-6;6-3-1-2-4(8)7-5(3)9;/h5-13,18,20,22H,14-17,19H2,1-4H3;2,4-6,8,16-18,23H,3,7,9-15H2,1H3,(H,32,36,37);2,4-7,14-16H,3,8-13H2,1H3,(H,27,30);6-14,23H,4-5,15-16H2,1-3H3;4-12,14-15H,13H2,1-3H3;1-5,10-12,20H,6-9H2,(H,22,24);2-10,21H,11H2,1H3;8H,4-7,11H2,1-3H3;6H,3-5H2,1-2H3;2-4H2,1H3,(H,7,8);3H,1-2H2,(H,7,8,9);1H3/b;;;;18-14+;;;;;;;.
What are the key properties of azane;2-bromo-1,1-diethoxyethane;3-bromopiperidine-2,6-dione;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[4-[1-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indol-6-yl]oxypyrazol-1-yl]piperidine-1-carboxylate;6-(2,2-diethoxyethoxy)-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;(E)-3-(dimethylamino)-2-[1-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indol-6-yl]oxyprop-2-enal;6-hydroxy-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;6-[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]oxy-1H-benzo[cd]indol-2-one;3-[6-[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]oxy-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;1-methylcyclobutane-1-carboxylic acid;6-(1-piperidin-4-ylpyrazol-4-yl)oxy-1H-benzo[cd]indol-2-one?
azane;2-bromo-1,1-diethoxyethane;3-bromopiperidine-2,6-dione;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[4-[1-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indol-6-yl]oxypyrazol-1-yl]piperidine-1-carboxylate;6-(2,2-diethoxyethoxy)-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;(E)-3-(dimethylamino)-2-[1-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indol-6-yl]oxyprop-2-enal;6-hydroxy-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;6-[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]oxy-1H-benzo[cd]indol-2-one;3-[6-[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]oxy-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;1-methylcyclobutane-1-carboxylic acid;6-(1-piperidin-4-ylpyrazol-4-yl)oxy-1H-benzo[cd]indol-2-one has a molecular weight of 3710.96 g/mol, XLogP of 35.81, 44 rotatable bonds, 9 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-bromo-1,1-diethoxyethane;3-bromopiperidine-2,6-dione;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[4-[1-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indol-6-yl]oxypyrazol-1-yl]piperidine-1-carboxylate;6-(2,2-diethoxyethoxy)-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;(E)-3-(dimethylamino)-2-[1-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indol-6-yl]oxyprop-2-enal;6-hydroxy-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;6-[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]oxy-1H-benzo[cd]indol-2-one;3-[6-[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]oxy-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;1-methylcyclobutane-1-carboxylic acid;6-(1-piperidin-4-ylpyrazol-4-yl)oxy-1H-benzo[cd]indol-2-one is sourced from PubChem (CID 167591102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).