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

C186H204Cl2N24O19 — CID 167662498

IUPACtert-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
SMILESCC(C)(C)OC(=O)N1CCC(c2ccn[nH]2)CC1.CC1(C(=O)N2CCC(c3ccn(Cc4ccc5c6c(cccc46)C(=O)N5)n3)CC2)CCC1.CC1(C(=O)N2CCC(c3ccn(Cc4ccc5c6c(cccc46)C(=O)N5)n3)CC2)CCC1.CC1(C(=O)O)CCC1.COc1ccc(CN2C(=O)c3cccc4c(CCl)ccc2c34)cc1.COc1ccc(CN2C(=O)c3cccc4c(Cn5ccc(C6CCN(C(=O)C7(C)CCC7)CC6)n5)ccc2c34)cc1.COc1ccc(CN2C(=O)c3cccc4c(Cn5ccc(C6CCN(C(=O)OC(C)(C)C)CC6)n5)ccc2c34)cc1.COc1ccc(CN2C(=O)c3cccc4c(Cn5ccc(C6CCNCC6)n5)ccc2c34)cc1.Cl
InChIInChI=1S/C34H36N4O3.C33H36N4O4.C28H28N4O2.2C26H28N4O2.C20H16ClNO2.C13H21N3O2.C6H10O2.ClH/c1-34(16-4-17-34)33(40)36-18-13-24(14-19-36)29-15-20-37(35-29)22-25-9-12-30-31-27(25)5-3-6-28(31)32(39)38(30)21-23-7-10-26(41-2)11-8-23;1-33(2,3)41-32(39)35-17-14-23(15-18-35)28-16-19-36(34-28)21-24-10-13-29-30-26(24)6-5-7-27(30)31(38)37(29)20-22-8-11-25(40-4)12-9-22;1-34-22-8-5-19(6-9-22)17-32-26-10-7-21(23-3-2-4-24(27(23)26)28(32)33)18-31-16-13-25(30-31)20-11-14-29-15-12-20;2*1-26(11-3-12-26)25(32)29-13-8-17(9-14-29)21-10-15-30(28-21)16-18-6-7-22-23-19(18)4-2-5-20(23)24(31)27-22;1-24-15-8-5-13(6-9-15)12-22-18-10-7-14(11-21)16-3-2-4-17(19(16)18)20(22)23;1-13(2,3)18-12(17)16-8-5-10(6-9-16)11-4-7-14-15-11;1-6(5(7)8)3-2-4-6;/h3,5-12,15,20,24H,4,13-14,16-19,21-22H2,1-2H3;5-13,16,19,23H,14-15,17-18,20-21H2,1-4H3;2-10,13,16,20,29H,11-12,14-15,17-18H2,1H3;2*2,4-7,10,15,17H,3,8-9,11-14,16H2,1H3,(H,27,31);2-10H,11-12H2,1H3;4,7,10H,5-6,8-9H2,1-3H3,(H,14,15);2-4H2,1H3,(H,7,8);1H
InChIKeyMYLYUEDRMTUTEZ-UHFFFAOYSA-N
MW3150.73 g/mol
LogP35.29
Rot. Bonds33

About 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

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 (PubChem CID 167662498) has the molecular formula C186H204Cl2N24O19 and a molecular weight of 3150.73 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nametert-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
PubChem CID167662498
Molecular FormulaC186H204Cl2N24O19
Molecular Weight3150.73 g/mol
Exact Mass3147.51
IUPAC Nametert-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
SMILESCC(C)(C)OC(=O)N1CCC(c2ccn[nH]2)CC1.CC1(C(=O)N2CCC(c3ccn(Cc4ccc5c6c(cccc46)C(=O)N5)n3)CC2)CCC1.CC1(C(=O)N2CCC(c3ccn(Cc4ccc5c6c(cccc46)C(=O)N5)n3)CC2)CCC1.CC1(C(=O)O)CCC1.COc1ccc(CN2C(=O)c3cccc4c(CCl)ccc2c34)cc1.COc1ccc(CN2C(=O)c3cccc4c(Cn5ccc(C6CCN(C(=O)C7(C)CCC7)CC6)n5)ccc2c34)cc1.COc1ccc(CN2C(=O)c3cccc4c(Cn5ccc(C6CCN(C(=O)OC(C)(C)C)CC6)n5)ccc2c34)cc1.COc1ccc(CN2C(=O)c3cccc4c(Cn5ccc(C6CCNCC6)n5)ccc2c34)cc1.Cl
InChIInChI=1S/C34H36N4O3.C33H36N4O4.C28H28N4O2.2C26H28N4O2.C20H16ClNO2.C13H21N3O2.C6H10O2.ClH/c1-34(16-4-17-34)33(40)36-18-13-24(14-19-36)29-15-20-37(35-29)22-25-9-12-30-31-27(25)5-3-6-28(31)32(39)38(30)21-23-7-10-26(41-2)11-8-23;1-33(2,3)41-32(39)35-17-14-23(15-18-35)28-16-19-36(34-28)21-24-10-13-29-30-26(24)6-5-7-27(30)31(38)37(29)20-22-8-11-25(40-4)12-9-22;1-34-22-8-5-19(6-9-22)17-32-26-10-7-21(23-3-2-4-24(27(23)26)28(32)33)18-31-16-13-25(30-31)20-11-14-29-15-12-20;2*1-26(11-3-12-26)25(32)29-13-8-17(9-14-29)21-10-15-30(28-21)16-18-6-7-22-23-19(18)4-2-5-20(23)24(31)27-22;1-24-15-8-5-13(6-9-15)12-22-18-10-7-14(11-21)16-3-2-4-17(19(16)18)20(22)23;1-13(2,3)18-12(17)16-8-5-10(6-9-16)11-4-7-14-15-11;1-6(5(7)8)3-2-4-6;/h3,5-12,15,20,24H,4,13-14,16-19,21-22H2,1-2H3;5-13,16,19,23H,14-15,17-18,20-21H2,1-4H3;2-10,13,16,20,29H,11-12,14-15,17-18H2,1H3;2*2,4-7,10,15,17H,3,8-9,11-14,16H2,1H3,(H,27,31);2-10H,11-12H2,1H3;4,7,10H,5-6,8-9H2,1-3H3,(H,14,15);2-4H2,1H3,(H,7,8);1H
InChIKeyMYLYUEDRMTUTEZ-UHFFFAOYSA-N
XLogP35.29
TPSA463.48 Ų
H-Bond Donors5
H-Bond Acceptors30
Rotatable Bonds33
Heavy Atoms231
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003150.73
LogP ≤ 535.29
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

6-(chloromethyl)-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;5-(chloromethyl)-1-(oxan-2-yl)pyrazole;1-(2-fluoro-4-isocyanophenyl)-4-[[2-(oxan-2-yl)pyrazol-3-yl]methyl]piperazine;1-(2-fluoro-4-isocyanophenyl)piperazine;1-(2-fluoro-4-isocyanophenyl)-4-(1H-pyrazol-5-ylmethyl)piperazine;hydrochloride
CID 167593479
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
4-bromo-1H-pyrazol-5-amine;tert-butyl 4-(3-amino-4-bromopyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-(4-bromo-3-chloropyrazol-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-5-[[1-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-methylsulfonyloxypiperidine-1-carboxylate;6-(chloromethyl)-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;[3-chloro-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-5-yl]boronic acid;6-[(3-chloro-1-piperidin-4-ylpyrazol-5-yl)methyl]-1H-benzo[cd]indol-2-one;trimethyl borate
CID 167611024
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
6-[[1-(4-azaspiro[2.5]octan-7-yl)pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;tert-butyl 7-hydroxy-4-azaspiro[2.5]octane-4-carboxylate;tert-butyl 7-[4-[[1-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]-4-azaspiro[2.5]octane-4-carboxylate;tert-butyl 7-methylsulfonyloxy-4-azaspiro[2.5]octane-4-carboxylate;tert-butyl 7-oxo-4-azaspiro[2.5]octane-4-carboxylate;tert-butyl 7-[4-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]pyrazol-1-yl]-4-azaspiro[2.5]octane-4-carboxylate;1-[(4-methoxyphenyl)methyl]-6-(1H-pyrazol-4-ylmethyl)benzo[cd]indol-2-one
CID 167614288
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
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
1-benzyl-4-methyl-3,6-dihydro-2H-pyridine;1-benzyl-4-[1-(oxan-2-yl)pyrazol-4-yl]-3,6-dihydro-2H-pyridine;4-bromo-1-(oxan-2-yl)pyrazole;4-bromo-1H-pyrazole;6-(chloromethyl)-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;methane;1-methylcyclobutane-1-carboxylic acid;(1-methylcyclobutyl)-[4-[1-(oxan-2-yl)pyrazol-4-yl]piperidin-1-yl]methanone;(1-methylcyclobutyl)-[4-(1H-pyrazol-4-yl)piperidin-1-yl]methanone;4-[1-(oxan-2-yl)pyrazol-4-yl]piperidine
CID 167677504
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
3-bromopiperidine-2,6-dione;tert-butyl 4-[1-(oxan-2-yl)pyrazol-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;6-(chloromethyl)-1H-benzo[cd]indol-2-one;4-iodo-1H-pyrazole;1-[(4-methoxyphenyl)methyl]-6-[[4-[4-(1-methylcyclobutanecarbonyl)piperazin-1-yl]pyrazol-1-yl]methyl]benzo[cd]indol-2-one;6-[[4-[4-(1-methylcyclobutanecarbonyl)piperazin-1-yl]pyrazol-1-yl]methyl]-1H-benzo[cd]indol-2-one;3-[6-[[4-[4-(1-methylcyclobutanecarbonyl)piperazin-1-yl]pyrazol-1-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;1-methylcyclobutane-1-carboxylic acid;(1-methylcyclobutyl)-[4-(1H-pyrazol-4-yl)piperazin-1-yl]methanone;molecular hydrogen;oxane;1-(1H-pyrazol-4-yl)piperazine;hydrochloride
CID 167712047

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)OC(=O)N1CCC(c2ccn[nH]2)CC1.CC1(C(=O)N2CCC(c3ccn(Cc4ccc5c6c(cccc46)C(=O)N5)n3)CC2)CCC1.CC1(C(=O)N2CCC(c3ccn(Cc4ccc5c6c(cccc46)C(=O)N5)n3)CC2)CCC1.CC1(C(=O)O)CCC1.COc1ccc(CN2C(=O)c3cccc4c(CCl)ccc2c34)cc1.COc1ccc(CN2C(=O)c3cccc4c(Cn5ccc(C6CCN(C(=O)C7(C)CCC7)CC6)n5)ccc2c34)cc1.COc1ccc(CN2C(=O)c3cccc4c(Cn5ccc(C6CCN(C(=O)OC(C)(C)C)CC6)n5)ccc2c34)cc1.COc1ccc(CN2C(=O)c3cccc4c(Cn5ccc(C6CCNCC6)n5)ccc2c34)cc1.Cl.
What is the InChIKey of 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?
The InChIKey is MYLYUEDRMTUTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36N4O3.C33H36N4O4.C28H28N4O2.2C26H28N4O2.C20H16ClNO2.C13H21N3O2.C6H10O2.ClH/c1-34(16-4-17-34)33(40)36-18-13-24(14-19-36)29-15-20-37(35-29)22-25-9-12-30-31-27(25)5-3-6-28(31)32(39)38(30)21-23-7-10-26(41-2)11-8-23;1-33(2,3)41-32(39)35-17-14-23(15-18-35)28-16-19-36(34-28)21-24-10-13-29-30-26(24)6-5-7-27(30)31(38)37(29)20-22-8-11-25(40-4)12-9-22;1-34-22-8-5-19(6-9-22)17-32-26-10-7-21(23-3-2-4-24(27(23)26)28(32)33)18-31-16-13-25(30-31)20-11-14-29-15-12-20;2*1-26(11-3-12-26)25(32)29-13-8-17(9-14-29)21-10-15-30(28-21)16-18-6-7-22-23-19(18)4-2-5-20(23)24(31)27-22;1-24-15-8-5-13(6-9-15)12-22-18-10-7-14(11-21)16-3-2-4-17(19(16)18)20(22)23;1-13(2,3)18-12(17)16-8-5-10(6-9-16)11-4-7-14-15-11;1-6(5(7)8)3-2-4-6;/h3,5-12,15,20,24H,4,13-14,16-19,21-22H2,1-2H3;5-13,16,19,23H,14-15,17-18,20-21H2,1-4H3;2-10,13,16,20,29H,11-12,14-15,17-18H2,1H3;2*2,4-7,10,15,17H,3,8-9,11-14,16H2,1H3,(H,27,31);2-10H,11-12H2,1H3;4,7,10H,5-6,8-9H2,1-3H3,(H,14,15);2-4H2,1H3,(H,7,8);1H.
What are the key properties of 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?
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 has a molecular weight of 3150.73 g/mol, XLogP of 35.29, 33 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167662498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).