6-(chloromethyl)-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;1,4-dioxaspiro[4.5]decan-8-yl methanesulfonate;6-[[1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-4-yl]methyl]-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-[(4-methoxyphenyl)methyl]-6-[[1-(4-oxocyclohexyl)pyrazol-4-yl]methyl]benzo[cd]indol-2-one;1-[(4-methoxyphenyl)methyl]-6-(1H-pyrazol-4-ylmethyl)benzo[cd]indol-2-one;1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole

C154H159BClN15O22S — CID 167615841

About 6-(chloromethyl)-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;1,4-dioxaspiro[4.5]decan-8-yl methanesulfonate;6-[[1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-4-yl]methyl]-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-[(4-methoxyphenyl)methyl]-6-[[1-(4-oxocyclohexyl)pyrazol-4-yl]methyl]benzo[cd]indol-2-one;1-[(4-methoxyphenyl)methyl]-6-(1H-pyrazol-4-ylmethyl)benzo[cd]indol-2-one;1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole

6-(chloromethyl)-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;1,4-dioxaspiro[4.5]decan-8-yl methanesulfonate;6-[[1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-4-yl]methyl]-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-[(4-methoxyphenyl)methyl]-6-[[1-(4-oxocyclohexyl)pyrazol-4-yl]methyl]benzo[cd]indol-2-one;1-[(4-methoxyphenyl)methyl]-6-(1H-pyrazol-4-ylmethyl)benzo[cd]indol-2-one;1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole (PubChem CID 167615841) has the molecular formula C154H159BClN15O22S and a molecular weight of 2650.38 g/mol. Its IUPAC name is 6-(chloromethyl)-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;1,4-dioxaspiro[4.5]decan-8-yl methanesulfonate;6-[[1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-4-yl]methyl]-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-[(4-methoxyphenyl)methyl]-6-[[1-(4-oxocyclohexyl)pyrazol-4-yl]methyl]benzo[cd]indol-2-one;1-[(4-methoxyphenyl)methyl]-6-(1H-pyrazol-4-ylmethyl)benzo[cd]indol-2-one;1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole.

Molecular Properties

• Compound Name: 6-(chloromethyl)-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;1,4-dioxaspiro[4.5]decan-8-yl methanesulfonate;6-[[1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-4-yl]methyl]-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-[(4-methoxyphenyl)methyl]-6-[[1-(4-oxocyclohexyl)pyrazol-4-yl]methyl]benzo[cd]indol-2-one;1-[(4-methoxyphenyl)methyl]-6-(1H-pyrazol-4-ylmethyl)benzo[cd]indol-2-one;1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
• PubChem CID: 167615841
• Molecular Formula: C154H159BClN15O22S
• Molecular Weight: 2650.38 g/mol
• Exact Mass: 2648.13
• IUPAC Name: 6-(chloromethyl)-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;1,4-dioxaspiro[4.5]decan-8-yl methanesulfonate;6-[[1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-4-yl]methyl]-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-[(4-methoxyphenyl)methyl]-6-[[1-(4-oxocyclohexyl)pyrazol-4-yl]methyl]benzo[cd]indol-2-one;1-[(4-methoxyphenyl)methyl]-6-(1H-pyrazol-4-ylmethyl)benzo[cd]indol-2-one;1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
• SMILES: CC1(C)OB(c2cnn(C3CCCCO3)c2)OC1(C)C.COc1ccc(CN2C(=O)c3cccc4c(CCl)ccc2c34)cc1.COc1ccc(CN2C(=O)c3cccc4c(Cc5cn[nH]c5)ccc2c34)cc1.COc1ccc(CN2C(=O)c3cccc4c(Cc5cnn(C6CCC(=O)CC6)c5)ccc2c34)cc1.COc1ccc(CN2C(=O)c3cccc4c(Cc5cnn(C6CCC7(CC6)OCCO7)c5)ccc2c34)cc1.COc1ccc(CN2C(=O)c3cccc4c(Cc5cnn(C6CCCCO6)c5)ccc2c34)cc1.CS(=O)(=O)OC1CCC2(CC1)OCCO2
• InChI: InChI=1S/C31H31N3O4.C29H27N3O3.C28H27N3O3.C23H19N3O2.C20H16ClNO2.C14H23BN2O3.C9H16O5S/c1-36-25-8-5-21(6-9-25)19-33-28-10-7-23(26-3-2-4-27(29(26)28)30(33)35)17-22-18-32-34(20-22)24-11-13-31(14-12-24)37-15-16-38-31;1-35-24-12-5-19(6-13-24)17-31-27-14-7-21(25-3-2-4-26(28(25)27)29(31)34)15-20-16-30-32(18-20)22-8-10-23(33)11-9-22;1-33-22-11-8-19(9-12-22)17-30-25-13-10-21(23-5-4-6-24(27(23)25)28(30)32)15-20-16-29-31(18-20)26-7-2-3-14-34-26;1-28-18-8-5-15(6-9-18)14-26-21-10-7-17(11-16-12-24-25-13-16)19-3-2-4-20(22(19)21)23(26)27;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)14(3,4)20-15(19-13)11-9-16-17(10-11)12-7-5-6-8-18-12;1-15(10,11)14-8-2-4-9(5-3-8)12-6-7-13-9/h2-10,18,20,24H,11-17,19H2,1H3;2-7,12-14,16,18,22H,8-11,15,17H2,1H3;4-6,8-13,16,18,26H,2-3,7,14-15,17H2,1H3;2-10,12-13H,11,14H2,1H3,(H,24,25);2-10H,11-12H2,1H3;9-10,12H,5-8H2,1-4H3;8H,2-7H2,1H3
• InChIKey: LSNTZIQQDVGDGD-UHFFFAOYSA-N
• XLogP: 28.23
• TPSA: 381.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 31
• Rotatable Bonds: 31
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2650.38
LogP ≤ 5	28.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(chloromethyl)-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;1,4-dioxaspiro[4.5]decan-8-yl methanesulfonate;6-[[1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-4-yl]methyl]-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-[(4-methoxyphenyl)methyl]-6-[[1-(4-oxocyclohexyl)pyrazol-4-yl]methyl]benzo[cd]indol-2-one;1-[(4-methoxyphenyl)methyl]-6-(1H-pyrazol-4-ylmethyl)benzo[cd]indol-2-one;1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

The IUPAC name of 6-(chloromethyl)-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;1,4-dioxaspiro[4.5]decan-8-yl methanesulfonate;6-[[1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-4-yl]methyl]-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-[(4-methoxyphenyl)methyl]-6-[[1-(4-oxocyclohexyl)pyrazol-4-yl]methyl]benzo[cd]indol-2-one;1-[(4-methoxyphenyl)methyl]-6-(1H-pyrazol-4-ylmethyl)benzo[cd]indol-2-one;1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole (CID 167615841) is 6-(chloromethyl)-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;1,4-dioxaspiro[4.5]decan-8-yl methanesulfonate;6-[[1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-4-yl]methyl]-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-[(4-methoxyphenyl)methyl]-6-[[1-(4-oxocyclohexyl)pyrazol-4-yl]methyl]benzo[cd]indol-2-one;1-[(4-methoxyphenyl)methyl]-6-(1H-pyrazol-4-ylmethyl)benzo[cd]indol-2-one;1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole.

What is the SMILES notation for 6-(chloromethyl)-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;1,4-dioxaspiro[4.5]decan-8-yl methanesulfonate;6-[[1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-4-yl]methyl]-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-[(4-methoxyphenyl)methyl]-6-[[1-(4-oxocyclohexyl)pyrazol-4-yl]methyl]benzo[cd]indol-2-one;1-[(4-methoxyphenyl)methyl]-6-(1H-pyrazol-4-ylmethyl)benzo[cd]indol-2-one;1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

The canonical SMILES for 6-(chloromethyl)-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;1,4-dioxaspiro[4.5]decan-8-yl methanesulfonate;6-[[1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-4-yl]methyl]-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-[(4-methoxyphenyl)methyl]-6-[[1-(4-oxocyclohexyl)pyrazol-4-yl]methyl]benzo[cd]indol-2-one;1-[(4-methoxyphenyl)methyl]-6-(1H-pyrazol-4-ylmethyl)benzo[cd]indol-2-one;1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole is CC1(C)OB(c2cnn(C3CCCCO3)c2)OC1(C)C.COc1ccc(CN2C(=O)c3cccc4c(CCl)ccc2c34)cc1.COc1ccc(CN2C(=O)c3cccc4c(Cc5cn[nH]c5)ccc2c34)cc1.COc1ccc(CN2C(=O)c3cccc4c(Cc5cnn(C6CCC(=O)CC6)c5)ccc2c34)cc1.COc1ccc(CN2C(=O)c3cccc4c(Cc5cnn(C6CCC7(CC6)OCCO7)c5)ccc2c34)cc1.COc1ccc(CN2C(=O)c3cccc4c(Cc5cnn(C6CCCCO6)c5)ccc2c34)cc1.CS(=O)(=O)OC1CCC2(CC1)OCCO2.

What is the InChIKey of 6-(chloromethyl)-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;1,4-dioxaspiro[4.5]decan-8-yl methanesulfonate;6-[[1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-4-yl]methyl]-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-[(4-methoxyphenyl)methyl]-6-[[1-(4-oxocyclohexyl)pyrazol-4-yl]methyl]benzo[cd]indol-2-one;1-[(4-methoxyphenyl)methyl]-6-(1H-pyrazol-4-ylmethyl)benzo[cd]indol-2-one;1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

The InChIKey is LSNTZIQQDVGDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31N3O4.C29H27N3O3.C28H27N3O3.C23H19N3O2.C20H16ClNO2.C14H23BN2O3.C9H16O5S/c1-36-25-8-5-21(6-9-25)19-33-28-10-7-23(26-3-2-4-27(29(26)28)30(33)35)17-22-18-32-34(20-22)24-11-13-31(14-12-24)37-15-16-38-31;1-35-24-12-5-19(6-13-24)17-31-27-14-7-21(25-3-2-4-26(28(25)27)29(31)34)15-20-16-30-32(18-20)22-8-10-23(33)11-9-22;1-33-22-11-8-19(9-12-22)17-30-25-13-10-21(23-5-4-6-24(27(23)25)28(30)32)15-20-16-29-31(18-20)26-7-2-3-14-34-26;1-28-18-8-5-15(6-9-18)14-26-21-10-7-17(11-16-12-24-25-13-16)19-3-2-4-20(22(19)21)23(26)27;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)14(3,4)20-15(19-13)11-9-16-17(10-11)12-7-5-6-8-18-12;1-15(10,11)14-8-2-4-9(5-3-8)12-6-7-13-9/h2-10,18,20,24H,11-17,19H2,1H3;2-7,12-14,16,18,22H,8-11,15,17H2,1H3;4-6,8-13,16,18,26H,2-3,7,14-15,17H2,1H3;2-10,12-13H,11,14H2,1H3,(H,24,25);2-10H,11-12H2,1H3;9-10,12H,5-8H2,1-4H3;8H,2-7H2,1H3.

What are the key properties of 6-(chloromethyl)-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;1,4-dioxaspiro[4.5]decan-8-yl methanesulfonate;6-[[1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-4-yl]methyl]-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-[(4-methoxyphenyl)methyl]-6-[[1-(4-oxocyclohexyl)pyrazol-4-yl]methyl]benzo[cd]indol-2-one;1-[(4-methoxyphenyl)methyl]-6-(1H-pyrazol-4-ylmethyl)benzo[cd]indol-2-one;1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?

6-(chloromethyl)-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;1,4-dioxaspiro[4.5]decan-8-yl methanesulfonate;6-[[1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-4-yl]methyl]-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-[(4-methoxyphenyl)methyl]-6-[[1-(4-oxocyclohexyl)pyrazol-4-yl]methyl]benzo[cd]indol-2-one;1-[(4-methoxyphenyl)methyl]-6-(1H-pyrazol-4-ylmethyl)benzo[cd]indol-2-one;1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole has a molecular weight of 2650.38 g/mol, XLogP of 28.23, 31 rotatable bonds, 1 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(chloromethyl)-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;1,4-dioxaspiro[4.5]decan-8-yl methanesulfonate;6-[[1-(1,4-dioxaspiro[4.5]decan-8-yl)pyrazol-4-yl]methyl]-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-[(4-methoxyphenyl)methyl]-6-[[1-(4-oxocyclohexyl)pyrazol-4-yl]methyl]benzo[cd]indol-2-one;1-[(4-methoxyphenyl)methyl]-6-(1H-pyrazol-4-ylmethyl)benzo[cd]indol-2-one;1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole is sourced from PubChem (CID 167615841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).