6-[[1-[1-(cubane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]-hydroxymethyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[[1-[2,2-dimethyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;1-(6-methylidene-2-oxopiperidin-3-yl)-6-[(1-methylpyrazol-4-yl)methyl]benzo[cd]indol-2-one;bis(1-(6-methylidene-2-oxopiperidin-3-yl)-6-[[2-(morpholin-4-ylmethyl)pyrimidin-5-yl]methyl]benzo[cd]indol-2-one)

C145H146N24O15 — CID 167595258

IUPAC6-[[1-[1-(cubane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]-hydroxymethyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[[1-[2,2-dimethyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;1-(6-methylidene-2-oxopiperidin-3-yl)-6-[(1-methylpyrazol-4-yl)methyl]benzo[cd]indol-2-one;bis(1-(6-methylidene-2-oxopiperidin-3-yl)-6-[[2-(morpholin-4-ylmethyl)pyrimidin-5-yl]methyl]benzo[cd]indol-2-one)
SMILESC=C1CCC(N2C(=O)c3cccc4c(C(O)c5cnn(C6CCN(C(=O)C78C9C%10C%11C9C7C%11C%108)CC6)c5)ccc2c34)C(=O)N1.C=C1CCC(N2C(=O)c3cccc4c(Cc5cnc(CN6CCOCC6)nc5)ccc2c34)C(=O)N1.C=C1CCC(N2C(=O)c3cccc4c(Cc5cnc(CN6CCOCC6)nc5)ccc2c34)C(=O)N1.C=C1CCC(N2C(=O)c3cccc4c(Cc5cnn(C)c5)ccc2c34)C(=O)N1.C=C1CCC(N2C(=O)c3cccc4c(Cc5cnn(C6CCN(C(=O)C7(C)CCC7)C(C)(C)C6)c5)ccc2c34)C(=O)N1
InChIInChI=1S/C35H33N5O4.C34H39N5O3.2C27H27N5O3.C22H20N4O2/c1-15-5-7-22(32(42)37-15)40-21-8-6-19(18-3-2-4-20(23(18)21)33(40)43)31(41)16-13-36-39(14-16)17-9-11-38(12-10-17)34(44)35-28-25-24-26(28)30(35)27(24)29(25)35;1-21-9-11-28(30(40)36-21)39-27-12-10-23(25-7-5-8-26(29(25)27)31(39)41)17-22-19-35-38(20-22)24-13-16-37(33(2,3)18-24)32(42)34(4)14-6-15-34;2*1-17-5-7-23(26(33)30-17)32-22-8-6-19(20-3-2-4-21(25(20)22)27(32)34)13-18-14-28-24(29-15-18)16-31-9-11-35-12-10-31;1-13-6-8-19(21(27)24-13)26-18-9-7-15(10-14-11-23-25(2)12-14)16-4-3-5-17(20(16)18)22(26)28/h2-4,6,8,13-14,17,22,24-31,41H,1,5,7,9-12H2,(H,37,42);5,7-8,10,12,19-20,24,28H,1,6,9,11,13-18H2,2-4H3,(H,36,40);2*2-4,6,8,14-15,23H,1,5,7,9-13,16H2,(H,30,33);3-5,7,9,11-12,19H,1,6,8,10H2,2H3,(H,24,27)
InChIKeyIZBOGCVQDNBKOB-UHFFFAOYSA-N
MW2464.92 g/mol
LogP17.44
Rot. Bonds23

About 6-[[1-[1-(cubane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]-hydroxymethyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[[1-[2,2-dimethyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;1-(6-methylidene-2-oxopiperidin-3-yl)-6-[(1-methylpyrazol-4-yl)methyl]benzo[cd]indol-2-one;bis(1-(6-methylidene-2-oxopiperidin-3-yl)-6-[[2-(morpholin-4-ylmethyl)pyrimidin-5-yl]methyl]benzo[cd]indol-2-one)

6-[[1-[1-(cubane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]-hydroxymethyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[[1-[2,2-dimethyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;1-(6-methylidene-2-oxopiperidin-3-yl)-6-[(1-methylpyrazol-4-yl)methyl]benzo[cd]indol-2-one;bis(1-(6-methylidene-2-oxopiperidin-3-yl)-6-[[2-(morpholin-4-ylmethyl)pyrimidin-5-yl]methyl]benzo[cd]indol-2-one) (PubChem CID 167595258) has the molecular formula C145H146N24O15 and a molecular weight of 2464.92 g/mol. Its IUPAC name is 6-[[1-[1-(cubane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]-hydroxymethyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[[1-[2,2-dimethyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;1-(6-methylidene-2-oxopiperidin-3-yl)-6-[(1-methylpyrazol-4-yl)methyl]benzo[cd]indol-2-one;bis(1-(6-methylidene-2-oxopiperidin-3-yl)-6-[[2-(morpholin-4-ylmethyl)pyrimidin-5-yl]methyl]benzo[cd]indol-2-one).

Molecular Properties

Compound Name6-[[1-[1-(cubane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]-hydroxymethyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[[1-[2,2-dimethyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;1-(6-methylidene-2-oxopiperidin-3-yl)-6-[(1-methylpyrazol-4-yl)methyl]benzo[cd]indol-2-one;bis(1-(6-methylidene-2-oxopiperidin-3-yl)-6-[[2-(morpholin-4-ylmethyl)pyrimidin-5-yl]methyl]benzo[cd]indol-2-one)
PubChem CID167595258
Molecular FormulaC145H146N24O15
Molecular Weight2464.92 g/mol
Exact Mass2463.14
IUPAC Name6-[[1-[1-(cubane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]-hydroxymethyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[[1-[2,2-dimethyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;1-(6-methylidene-2-oxopiperidin-3-yl)-6-[(1-methylpyrazol-4-yl)methyl]benzo[cd]indol-2-one;bis(1-(6-methylidene-2-oxopiperidin-3-yl)-6-[[2-(morpholin-4-ylmethyl)pyrimidin-5-yl]methyl]benzo[cd]indol-2-one)
SMILESC=C1CCC(N2C(=O)c3cccc4c(C(O)c5cnn(C6CCN(C(=O)C78C9C%10C%11C9C7C%11C%108)CC6)c5)ccc2c34)C(=O)N1.C=C1CCC(N2C(=O)c3cccc4c(Cc5cnc(CN6CCOCC6)nc5)ccc2c34)C(=O)N1.C=C1CCC(N2C(=O)c3cccc4c(Cc5cnc(CN6CCOCC6)nc5)ccc2c34)C(=O)N1.C=C1CCC(N2C(=O)c3cccc4c(Cc5cnn(C)c5)ccc2c34)C(=O)N1.C=C1CCC(N2C(=O)c3cccc4c(Cc5cnn(C6CCN(C(=O)C7(C)CCC7)C(C)(C)C6)c5)ccc2c34)C(=O)N1
InChIInChI=1S/C35H33N5O4.C34H39N5O3.2C27H27N5O3.C22H20N4O2/c1-15-5-7-22(32(42)37-15)40-21-8-6-19(18-3-2-4-20(23(18)21)33(40)43)31(41)16-13-36-39(14-16)17-9-11-38(12-10-17)34(44)35-28-25-24-26(28)30(35)27(24)29(25)35;1-21-9-11-28(30(40)36-21)39-27-12-10-23(25-7-5-8-26(29(25)27)31(39)41)17-22-19-35-38(20-22)24-13-16-37(33(2,3)18-24)32(42)34(4)14-6-15-34;2*1-17-5-7-23(26(33)30-17)32-22-8-6-19(20-3-2-4-21(25(20)22)27(32)34)13-18-14-28-24(29-15-18)16-31-9-11-35-12-10-31;1-13-6-8-19(21(27)24-13)26-18-9-7-15(10-14-11-23-25(2)12-14)16-4-3-5-17(20(16)18)22(26)28/h2-4,6,8,13-14,17,22,24-31,41H,1,5,7,9-12H2,(H,37,42);5,7-8,10,12,19-20,24,28H,1,6,9,11,13-18H2,2-4H3,(H,36,40);2*2-4,6,8,14-15,23H,1,5,7,9-13,16H2,(H,30,33);3-5,7,9,11-12,19H,1,6,8,10H2,2H3,(H,24,27)
InChIKeyIZBOGCVQDNBKOB-UHFFFAOYSA-N
XLogP17.44
TPSA437.86 Ų
H-Bond Donors6
H-Bond Acceptors27
Rotatable Bonds23
Heavy Atoms184
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002464.92
LogP ≤ 517.44
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1027

Analyze 6-[[1-[1-(cubane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]-hydroxymethyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[[1-[2,2-dimethyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;1-(6-methylidene-2-oxopiperidin-3-yl)-6-[(1-methylpyrazol-4-yl)methyl]benzo[cd]indol-2-one;bis(1-(6-methylidene-2-oxopiperidin-3-yl)-6-[[2-(morpholin-4-ylmethyl)pyrimidin-5-yl]methyl]benzo[cd]indol-2-one) with MolForge

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Related Compounds

3-[[1-(3,3-Difluoro-2-hydroxybutyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-methylpropyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(oxolan-3-yl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-pyrrolidin-1-ylethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(5-methyl-1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(1-methylpyrrolo[2,3-b]pyridin-3-yl)methyl]pyridine-4-carboxylic acid
CID 159953482
3-[[1-(3,3-Difluoro-2-hydroxybutyl)-5-fluoroindazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-methylpropyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-fluoro-1-(2-pyrrolidin-1-ylethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[[5-methyl-1-(oxolan-3-yl)indazol-3-yl]methyl]pyridine-4-carboxylic acid;3-[(5-methyl-1-propylindazol-3-yl)methyl]pyridine-4-carboxylic acid;3-[(1-methylpyrrolo[2,3-b]pyridin-3-yl)methyl]pyridine-4-carboxylic acid
CID 161983423
1-[4-[fluoro-[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidin-2-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide;1-[4-[3-fluoro-5-(trifluoromethyl)benzoyl]pyrimidin-2-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide;1-[6-[3-fluoro-5-(trifluoromethyl)benzoyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide;1-[4-[[3-fluoro-5-(trifluoromethyl)phenyl]-hydroxymethyl]pyrimidin-2-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide;1-[5-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-methylpyridazin-3-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide;1-[2-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide
CID 164952501
1-[4-[fluoro-[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidin-2-yl]-N-propyl-2,3-dihydroindole-4-carboxamide;1-[4-[3-fluoro-5-(trifluoromethyl)benzoyl]pyrimidin-2-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide;1-[6-[3-fluoro-5-(trifluoromethyl)benzoyl]pyrimidin-4-yl]-N-propyl-2,3-dihydroindole-4-carboxamide;1-[4-[[3-fluoro-5-(trifluoromethyl)phenyl]-hydroxymethyl]pyrimidin-2-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide;1-[5-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-methylpyridazin-3-yl]-N-propyl-2,3-dihydroindole-4-carboxamide;1-[2-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide
CID 165002795
3-(6-amino-2-oxobenzo[cd]indol-1-yl)piperidine-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-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]-difluoromethyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]-hydroxymethyl]pyrazol-1-yl]piperidine-1-carboxylate;N-tert-butyl-4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]-N-methylpiperidine-1-carboxamide;3-[6-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione
CID 167628914
N-[[3-(dimethylcarbamoyl)phenyl]methyl]-2-(oxan-4-ylamino)spiro[7H-pyrrolo[3,4-d]pyrimidine-5,1'-cyclobutane]-6-carboxamide;5,5-dimethyl-N-[[3-(methylcarbamoyl)phenyl]methyl]-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2-(oxan-4-ylamino)spiro[7H-pyrrolo[3,4-d]pyrimidine-5,1'-cyclobutane]-6-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-2-(oxan-4-ylamino)spiro[7H-pyrrolo[3,4-d]pyrimidine-5,1'-cyclobutane]-6-carboxamide;N-[(4-methylphenyl)methyl]-2-(oxan-4-ylamino)spiro[7H-pyrrolo[3,4-d]pyrimidine-5,1'-cyclobutane]-6-carboxamide
CID 157138223
CID 157310093
CID 157310093
CID 157444981
CID 157444981
2-(4-acetylpiperazin-1-yl)-6-(2-methylpropyl)pyridine-4-carboxylic acid;1-[2-(dimethylamino)ethyl]-4-propan-2-ylindole-6-carboxylic acid;1-methyl-7-propan-2-ylindazole-3-carboxylic acid;2-methyl-7-propan-2-ylindazole-3-carboxylic acid;1-methyl-7-propan-2-yl-3-(3H-1,2,4-triazol-5-yl)indole;2-(2-methylpropyl)-6-piperidin-1-ylpyridine-4-carboxylic acid;2-(2-morpholin-4-ylethyl)-7-propan-2-ylindazole-5-carboxylic acid
CID 157480902
6-Cyclopropyl-2-[2-(hydroxymethyl)-3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]-3,4-dihydroisoquinolin-1-one;6-(dimethylamino)-2-[2-(hydroxymethyl)-3-[8-[(1-methylpyrazol-3-yl)amino]imidazo[1,2-a]pyridin-6-yl]phenyl]-3,4-dihydroisoquinolin-1-one;6-(dimethylamino)-2-[2-(hydroxymethyl)-3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]-3,4-dihydroisoquinolin-1-one
CID 158537241
2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-1-[(3R)-3-methoxypyrrolidin-1-yl]ethanone;(3R)-1-[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidin-3-ol;methane;5-[4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopropyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-(4-piperazin-1-ylphenyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine
CID 159217717
CID 161800359
CID 161800359

Frequently Asked Questions

What is the IUPAC name of 6-[[1-[1-(cubane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]-hydroxymethyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[[1-[2,2-dimethyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;1-(6-methylidene-2-oxopiperidin-3-yl)-6-[(1-methylpyrazol-4-yl)methyl]benzo[cd]indol-2-one;bis(1-(6-methylidene-2-oxopiperidin-3-yl)-6-[[2-(morpholin-4-ylmethyl)pyrimidin-5-yl]methyl]benzo[cd]indol-2-one)?
The IUPAC name of 6-[[1-[1-(cubane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]-hydroxymethyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[[1-[2,2-dimethyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;1-(6-methylidene-2-oxopiperidin-3-yl)-6-[(1-methylpyrazol-4-yl)methyl]benzo[cd]indol-2-one;bis(1-(6-methylidene-2-oxopiperidin-3-yl)-6-[[2-(morpholin-4-ylmethyl)pyrimidin-5-yl]methyl]benzo[cd]indol-2-one) (CID 167595258) is 6-[[1-[1-(cubane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]-hydroxymethyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[[1-[2,2-dimethyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;1-(6-methylidene-2-oxopiperidin-3-yl)-6-[(1-methylpyrazol-4-yl)methyl]benzo[cd]indol-2-one;bis(1-(6-methylidene-2-oxopiperidin-3-yl)-6-[[2-(morpholin-4-ylmethyl)pyrimidin-5-yl]methyl]benzo[cd]indol-2-one).
What is the SMILES notation for 6-[[1-[1-(cubane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]-hydroxymethyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[[1-[2,2-dimethyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;1-(6-methylidene-2-oxopiperidin-3-yl)-6-[(1-methylpyrazol-4-yl)methyl]benzo[cd]indol-2-one;bis(1-(6-methylidene-2-oxopiperidin-3-yl)-6-[[2-(morpholin-4-ylmethyl)pyrimidin-5-yl]methyl]benzo[cd]indol-2-one)?
The canonical SMILES for 6-[[1-[1-(cubane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]-hydroxymethyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[[1-[2,2-dimethyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;1-(6-methylidene-2-oxopiperidin-3-yl)-6-[(1-methylpyrazol-4-yl)methyl]benzo[cd]indol-2-one;bis(1-(6-methylidene-2-oxopiperidin-3-yl)-6-[[2-(morpholin-4-ylmethyl)pyrimidin-5-yl]methyl]benzo[cd]indol-2-one) is C=C1CCC(N2C(=O)c3cccc4c(C(O)c5cnn(C6CCN(C(=O)C78C9C%10C%11C9C7C%11C%108)CC6)c5)ccc2c34)C(=O)N1.C=C1CCC(N2C(=O)c3cccc4c(Cc5cnc(CN6CCOCC6)nc5)ccc2c34)C(=O)N1.C=C1CCC(N2C(=O)c3cccc4c(Cc5cnc(CN6CCOCC6)nc5)ccc2c34)C(=O)N1.C=C1CCC(N2C(=O)c3cccc4c(Cc5cnn(C)c5)ccc2c34)C(=O)N1.C=C1CCC(N2C(=O)c3cccc4c(Cc5cnn(C6CCN(C(=O)C7(C)CCC7)C(C)(C)C6)c5)ccc2c34)C(=O)N1.
What is the InChIKey of 6-[[1-[1-(cubane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]-hydroxymethyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[[1-[2,2-dimethyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;1-(6-methylidene-2-oxopiperidin-3-yl)-6-[(1-methylpyrazol-4-yl)methyl]benzo[cd]indol-2-one;bis(1-(6-methylidene-2-oxopiperidin-3-yl)-6-[[2-(morpholin-4-ylmethyl)pyrimidin-5-yl]methyl]benzo[cd]indol-2-one)?
The InChIKey is IZBOGCVQDNBKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H33N5O4.C34H39N5O3.2C27H27N5O3.C22H20N4O2/c1-15-5-7-22(32(42)37-15)40-21-8-6-19(18-3-2-4-20(23(18)21)33(40)43)31(41)16-13-36-39(14-16)17-9-11-38(12-10-17)34(44)35-28-25-24-26(28)30(35)27(24)29(25)35;1-21-9-11-28(30(40)36-21)39-27-12-10-23(25-7-5-8-26(29(25)27)31(39)41)17-22-19-35-38(20-22)24-13-16-37(33(2,3)18-24)32(42)34(4)14-6-15-34;2*1-17-5-7-23(26(33)30-17)32-22-8-6-19(20-3-2-4-21(25(20)22)27(32)34)13-18-14-28-24(29-15-18)16-31-9-11-35-12-10-31;1-13-6-8-19(21(27)24-13)26-18-9-7-15(10-14-11-23-25(2)12-14)16-4-3-5-17(20(16)18)22(26)28/h2-4,6,8,13-14,17,22,24-31,41H,1,5,7,9-12H2,(H,37,42);5,7-8,10,12,19-20,24,28H,1,6,9,11,13-18H2,2-4H3,(H,36,40);2*2-4,6,8,14-15,23H,1,5,7,9-13,16H2,(H,30,33);3-5,7,9,11-12,19H,1,6,8,10H2,2H3,(H,24,27).
What are the key properties of 6-[[1-[1-(cubane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]-hydroxymethyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[[1-[2,2-dimethyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;1-(6-methylidene-2-oxopiperidin-3-yl)-6-[(1-methylpyrazol-4-yl)methyl]benzo[cd]indol-2-one;bis(1-(6-methylidene-2-oxopiperidin-3-yl)-6-[[2-(morpholin-4-ylmethyl)pyrimidin-5-yl]methyl]benzo[cd]indol-2-one)?
6-[[1-[1-(cubane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]-hydroxymethyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[[1-[2,2-dimethyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;1-(6-methylidene-2-oxopiperidin-3-yl)-6-[(1-methylpyrazol-4-yl)methyl]benzo[cd]indol-2-one;bis(1-(6-methylidene-2-oxopiperidin-3-yl)-6-[[2-(morpholin-4-ylmethyl)pyrimidin-5-yl]methyl]benzo[cd]indol-2-one) has a molecular weight of 2464.92 g/mol, XLogP of 17.44, 23 rotatable bonds, 6 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-[1-(cubane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]-hydroxymethyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;6-[[1-[2,2-dimethyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1-(6-methylidene-2-oxopiperidin-3-yl)benzo[cd]indol-2-one;1-(6-methylidene-2-oxopiperidin-3-yl)-6-[(1-methylpyrazol-4-yl)methyl]benzo[cd]indol-2-one;bis(1-(6-methylidene-2-oxopiperidin-3-yl)-6-[[2-(morpholin-4-ylmethyl)pyrimidin-5-yl]methyl]benzo[cd]indol-2-one) is sourced from PubChem (CID 167595258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).