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

C138H149BrCl5N25O16 — CID 167598014

About 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

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 (PubChem CID 167598014) has the molecular formula C138H149BrCl5N25O16 and a molecular weight of 2671.04 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 167598014
• Molecular Formula: C138H149BrCl5N25O16
• Molecular Weight: 2671.04 g/mol
• Exact Mass: 2665.92
• IUPAC Name: 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
• SMILES: CC(C)(C)OC(=O)N1CCC(n2cc(N)c(Cl)n2)CC1.CC(C)(C)OC(=O)N1CCC(n2cc(Nc3ccc4c5c(cccc35)C(=O)N4)c(Cl)n2)CC1.CC1(C(=O)N2CCC(n3cc(Nc4ccc5c6c(cccc46)C(=O)N5)c(Cl)n3)CC2)CCC1.CC1(C(=O)O)CCC1.COc1ccc(CN2C(=O)c3cccc4c(Br)ccc2c34)cc1.COc1ccc(CN2C(=O)c3cccc4c(Nc5cn(C6CCN(C(=O)OC(C)(C)C)CC6)nc5Cl)ccc2c34)cc1.O=C1Nc2ccc(Nc3cn(C4CCNCC4)nc3Cl)c3cccc1c23
• InChI: InChI=1S/C32H34ClN5O4.C25H26ClN5O2.C24H26ClN5O3.C19H14BrNO2.C19H18ClN5O.C13H21ClN4O2.C6H10O2/c1-32(2,3)42-31(40)36-16-14-21(15-17-36)38-19-26(29(33)35-38)34-25-12-13-27-28-23(25)6-5-7-24(28)30(39)37(27)18-20-8-10-22(41-4)11-9-20;1-25(10-3-11-25)24(33)30-12-8-15(9-13-30)31-14-20(22(26)29-31)27-18-6-7-19-21-16(18)4-2-5-17(21)23(32)28-19;1-24(2,3)33-23(32)29-11-9-14(10-12-29)30-13-19(21(25)28-30)26-17-7-8-18-20-15(17)5-4-6-16(20)22(31)27-18;1-23-13-7-5-12(6-8-13)11-21-17-10-9-16(20)14-3-2-4-15(18(14)17)19(21)22;20-18-16(10-25(24-18)11-6-8-21-9-7-11)22-14-4-5-15-17-12(14)2-1-3-13(17)19(26)23-15;1-13(2,3)20-12(19)17-6-4-9(5-7-17)18-8-10(15)11(14)16-18;1-6(5(7)8)3-2-4-6/h5-13,19,21,34H,14-18H2,1-4H3;2,4-7,14-15,27H,3,8-13H2,1H3,(H,28,32);4-8,13-14,26H,9-12H2,1-3H3,(H,27,31);2-10H,11H2,1H3;1-5,10-11,21-22H,6-9H2,(H,23,26);8-9H,4-7,15H2,1-3H3;2-4H2,1H3,(H,7,8)
• InChIKey: JIQAZFWDARWQBA-UHFFFAOYSA-N
• XLogP: 30.74
• TPSA: 467.88 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 31
• Rotatable Bonds: 21
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2671.04
LogP ≤ 5	30.74
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CC(C)(C)OC(=O)N1CCC(n2cc(N)c(Cl)n2)CC1.CC(C)(C)OC(=O)N1CCC(n2cc(Nc3ccc4c5c(cccc35)C(=O)N4)c(Cl)n2)CC1.CC1(C(=O)N2CCC(n3cc(Nc4ccc5c6c(cccc46)C(=O)N5)c(Cl)n3)CC2)CCC1.CC1(C(=O)O)CCC1.COc1ccc(CN2C(=O)c3cccc4c(Br)ccc2c34)cc1.COc1ccc(CN2C(=O)c3cccc4c(Nc5cn(C6CCN(C(=O)OC(C)(C)C)CC6)nc5Cl)ccc2c34)cc1.O=C1Nc2ccc(Nc3cn(C4CCNCC4)nc3Cl)c3cccc1c23.

What is the InChIKey of 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?

The InChIKey is JIQAZFWDARWQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34ClN5O4.C25H26ClN5O2.C24H26ClN5O3.C19H14BrNO2.C19H18ClN5O.C13H21ClN4O2.C6H10O2/c1-32(2,3)42-31(40)36-16-14-21(15-17-36)38-19-26(29(33)35-38)34-25-12-13-27-28-23(25)6-5-7-24(28)30(39)37(27)18-20-8-10-22(41-4)11-9-20;1-25(10-3-11-25)24(33)30-12-8-15(9-13-30)31-14-20(22(26)29-31)27-18-6-7-19-21-16(18)4-2-5-17(21)23(32)28-19;1-24(2,3)33-23(32)29-11-9-14(10-12-29)30-13-19(21(25)28-30)26-17-7-8-18-20-15(17)5-4-6-16(20)22(31)27-18;1-23-13-7-5-12(6-8-13)11-21-17-10-9-16(20)14-3-2-4-15(18(14)17)19(21)22;20-18-16(10-25(24-18)11-6-8-21-9-7-11)22-14-4-5-15-17-12(14)2-1-3-13(17)19(26)23-15;1-13(2,3)20-12(19)17-6-4-9(5-7-17)18-8-10(15)11(14)16-18;1-6(5(7)8)3-2-4-6/h5-13,19,21,34H,14-18H2,1-4H3;2,4-7,14-15,27H,3,8-13H2,1H3,(H,28,32);4-8,13-14,26H,9-12H2,1-3H3,(H,27,31);2-10H,11H2,1H3;1-5,10-11,21-22H,6-9H2,(H,23,26);8-9H,4-7,15H2,1-3H3;2-4H2,1H3,(H,7,8).

What are the key properties of 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?

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 has a molecular weight of 2671.04 g/mol, XLogP of 30.74, 21 rotatable bonds, 10 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 167598014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).