5-amino-2-[(4-methoxyphenyl)methyl]-3-methyl-3H-isoindol-1-one;5-bromo-2-[(4-methoxyphenyl)methyl]-3-methyl-3H-isoindol-1-one;N-(4-bromo-2-pyridinyl)cyclopropanecarboxamide;2-[(4-methoxyphenyl)methyl]-3,5-dimethyl-3H-isoindol-1-one;N-[4-[[2-[(4-methoxyphenyl)methyl]-3-methyl-1-oxo-3H-isoindol-5-yl]methyl]-2-pyridinyl]cyclopropanecarboxamide;N-[4-[(3-methyl-1-oxo-2,3-dihydroisoindol-5-yl)methyl]-2-pyridinyl]cyclopropanecarboxamide

C107H108Br2N12O12 — CID 160769507

About 5-amino-2-[(4-methoxyphenyl)methyl]-3-methyl-3H-isoindol-1-one;5-bromo-2-[(4-methoxyphenyl)methyl]-3-methyl-3H-isoindol-1-one;N-(4-bromo-2-pyridinyl)cyclopropanecarboxamide;2-[(4-methoxyphenyl)methyl]-3,5-dimethyl-3H-isoindol-1-one;N-[4-[[2-[(4-methoxyphenyl)methyl]-3-methyl-1-oxo-3H-isoindol-5-yl]methyl]-2-pyridinyl]cyclopropanecarboxamide;N-[4-[(3-methyl-1-oxo-2,3-dihydroisoindol-5-yl)methyl]-2-pyridinyl]cyclopropanecarboxamide

5-amino-2-[(4-methoxyphenyl)methyl]-3-methyl-3H-isoindol-1-one;5-bromo-2-[(4-methoxyphenyl)methyl]-3-methyl-3H-isoindol-1-one;N-(4-bromo-2-pyridinyl)cyclopropanecarboxamide;2-[(4-methoxyphenyl)methyl]-3,5-dimethyl-3H-isoindol-1-one;N-[4-[[2-[(4-methoxyphenyl)methyl]-3-methyl-1-oxo-3H-isoindol-5-yl]methyl]-2-pyridinyl]cyclopropanecarboxamide;N-[4-[(3-methyl-1-oxo-2,3-dihydroisoindol-5-yl)methyl]-2-pyridinyl]cyclopropanecarboxamide (PubChem CID 160769507) has the molecular formula C107H108Br2N12O12 and a molecular weight of 1913.92 g/mol. Its IUPAC name is 5-amino-2-[(4-methoxyphenyl)methyl]-3-methyl-3H-isoindol-1-one;5-bromo-2-[(4-methoxyphenyl)methyl]-3-methyl-3H-isoindol-1-one;N-(4-bromo-2-pyridinyl)cyclopropanecarboxamide;2-[(4-methoxyphenyl)methyl]-3,5-dimethyl-3H-isoindol-1-one;N-[4-[[2-[(4-methoxyphenyl)methyl]-3-methyl-1-oxo-3H-isoindol-5-yl]methyl]-2-pyridinyl]cyclopropanecarboxamide;N-[4-[(3-methyl-1-oxo-2,3-dihydroisoindol-5-yl)methyl]-2-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: 5-amino-2-[(4-methoxyphenyl)methyl]-3-methyl-3H-isoindol-1-one;5-bromo-2-[(4-methoxyphenyl)methyl]-3-methyl-3H-isoindol-1-one;N-(4-bromo-2-pyridinyl)cyclopropanecarboxamide;2-[(4-methoxyphenyl)methyl]-3,5-dimethyl-3H-isoindol-1-one;N-[4-[[2-[(4-methoxyphenyl)methyl]-3-methyl-1-oxo-3H-isoindol-5-yl]methyl]-2-pyridinyl]cyclopropanecarboxamide;N-[4-[(3-methyl-1-oxo-2,3-dihydroisoindol-5-yl)methyl]-2-pyridinyl]cyclopropanecarboxamide
• PubChem CID: 160769507
• Molecular Formula: C107H108Br2N12O12
• Molecular Weight: 1913.92 g/mol
• Exact Mass: 1910.66
• IUPAC Name: 5-amino-2-[(4-methoxyphenyl)methyl]-3-methyl-3H-isoindol-1-one;5-bromo-2-[(4-methoxyphenyl)methyl]-3-methyl-3H-isoindol-1-one;N-(4-bromo-2-pyridinyl)cyclopropanecarboxamide;2-[(4-methoxyphenyl)methyl]-3,5-dimethyl-3H-isoindol-1-one;N-[4-[[2-[(4-methoxyphenyl)methyl]-3-methyl-1-oxo-3H-isoindol-5-yl]methyl]-2-pyridinyl]cyclopropanecarboxamide;N-[4-[(3-methyl-1-oxo-2,3-dihydroisoindol-5-yl)methyl]-2-pyridinyl]cyclopropanecarboxamide
• SMILES: CC1NC(=O)c2ccc(Cc3ccnc(NC(=O)C4CC4)c3)cc21.COc1ccc(CN2C(=O)c3ccc(Br)cc3C2C)cc1.COc1ccc(CN2C(=O)c3ccc(C)cc3C2C)cc1.COc1ccc(CN2C(=O)c3ccc(Cc4ccnc(NC(=O)C5CC5)c4)cc3C2C)cc1.COc1ccc(CN2C(=O)c3ccc(N)cc3C2C)cc1.O=C(Nc1cc(Br)ccn1)C1CC1
• InChI: InChI=1S/C27H27N3O3.C19H19N3O2.C18H19NO2.C17H16BrNO2.C17H18N2O2.C9H9BrN2O/c1-17-24-14-19(13-20-11-12-28-25(15-20)29-26(31)21-6-7-21)5-10-23(24)27(32)30(17)16-18-3-8-22(33-2)9-4-18;1-11-16-9-12(2-5-15(16)19(24)21-11)8-13-6-7-20-17(10-13)22-18(23)14-3-4-14;1-12-4-9-16-17(10-12)13(2)19(18(16)20)11-14-5-7-15(21-3)8-6-14;2*1-11-16-9-13(18)5-8-15(16)17(20)19(11)10-12-3-6-14(21-2)7-4-12;10-7-3-4-11-8(5-7)12-9(13)6-1-2-6/h3-5,8-12,14-15,17,21H,6-7,13,16H2,1-2H3,(H,28,29,31);2,5-7,9-11,14H,3-4,8H2,1H3,(H,21,24)(H,20,22,23);4-10,13H,11H2,1-3H3;3-9,11H,10H2,1-2H3;3-9,11H,10,18H2,1-2H3;3-6H,1-2H2,(H,11,12,13)
• InChIKey: RZCYFGPQUWTGAB-UHFFFAOYSA-N
• XLogP: 20.65
• TPSA: 299.25 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 16
• Rotatable Bonds: 22
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1913.92
LogP ≤ 5	20.65
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(4-methoxyphenyl)methyl]-3-methyl-3H-isoindol-1-one;5-bromo-2-[(4-methoxyphenyl)methyl]-3-methyl-3H-isoindol-1-one;N-(4-bromo-2-pyridinyl)cyclopropanecarboxamide;2-[(4-methoxyphenyl)methyl]-3,5-dimethyl-3H-isoindol-1-one;N-[4-[[2-[(4-methoxyphenyl)methyl]-3-methyl-1-oxo-3H-isoindol-5-yl]methyl]-2-pyridinyl]cyclopropanecarboxamide;N-[4-[(3-methyl-1-oxo-2,3-dihydroisoindol-5-yl)methyl]-2-pyridinyl]cyclopropanecarboxamide?

The IUPAC name of 5-amino-2-[(4-methoxyphenyl)methyl]-3-methyl-3H-isoindol-1-one;5-bromo-2-[(4-methoxyphenyl)methyl]-3-methyl-3H-isoindol-1-one;N-(4-bromo-2-pyridinyl)cyclopropanecarboxamide;2-[(4-methoxyphenyl)methyl]-3,5-dimethyl-3H-isoindol-1-one;N-[4-[[2-[(4-methoxyphenyl)methyl]-3-methyl-1-oxo-3H-isoindol-5-yl]methyl]-2-pyridinyl]cyclopropanecarboxamide;N-[4-[(3-methyl-1-oxo-2,3-dihydroisoindol-5-yl)methyl]-2-pyridinyl]cyclopropanecarboxamide (CID 160769507) is 5-amino-2-[(4-methoxyphenyl)methyl]-3-methyl-3H-isoindol-1-one;5-bromo-2-[(4-methoxyphenyl)methyl]-3-methyl-3H-isoindol-1-one;N-(4-bromo-2-pyridinyl)cyclopropanecarboxamide;2-[(4-methoxyphenyl)methyl]-3,5-dimethyl-3H-isoindol-1-one;N-[4-[[2-[(4-methoxyphenyl)methyl]-3-methyl-1-oxo-3H-isoindol-5-yl]methyl]-2-pyridinyl]cyclopropanecarboxamide;N-[4-[(3-methyl-1-oxo-2,3-dihydroisoindol-5-yl)methyl]-2-pyridinyl]cyclopropanecarboxamide.

What is the SMILES notation for 5-amino-2-[(4-methoxyphenyl)methyl]-3-methyl-3H-isoindol-1-one;5-bromo-2-[(4-methoxyphenyl)methyl]-3-methyl-3H-isoindol-1-one;N-(4-bromo-2-pyridinyl)cyclopropanecarboxamide;2-[(4-methoxyphenyl)methyl]-3,5-dimethyl-3H-isoindol-1-one;N-[4-[[2-[(4-methoxyphenyl)methyl]-3-methyl-1-oxo-3H-isoindol-5-yl]methyl]-2-pyridinyl]cyclopropanecarboxamide;N-[4-[(3-methyl-1-oxo-2,3-dihydroisoindol-5-yl)methyl]-2-pyridinyl]cyclopropanecarboxamide?

The canonical SMILES for 5-amino-2-[(4-methoxyphenyl)methyl]-3-methyl-3H-isoindol-1-one;5-bromo-2-[(4-methoxyphenyl)methyl]-3-methyl-3H-isoindol-1-one;N-(4-bromo-2-pyridinyl)cyclopropanecarboxamide;2-[(4-methoxyphenyl)methyl]-3,5-dimethyl-3H-isoindol-1-one;N-[4-[[2-[(4-methoxyphenyl)methyl]-3-methyl-1-oxo-3H-isoindol-5-yl]methyl]-2-pyridinyl]cyclopropanecarboxamide;N-[4-[(3-methyl-1-oxo-2,3-dihydroisoindol-5-yl)methyl]-2-pyridinyl]cyclopropanecarboxamide is CC1NC(=O)c2ccc(Cc3ccnc(NC(=O)C4CC4)c3)cc21.COc1ccc(CN2C(=O)c3ccc(Br)cc3C2C)cc1.COc1ccc(CN2C(=O)c3ccc(C)cc3C2C)cc1.COc1ccc(CN2C(=O)c3ccc(Cc4ccnc(NC(=O)C5CC5)c4)cc3C2C)cc1.COc1ccc(CN2C(=O)c3ccc(N)cc3C2C)cc1.O=C(Nc1cc(Br)ccn1)C1CC1.

What is the InChIKey of 5-amino-2-[(4-methoxyphenyl)methyl]-3-methyl-3H-isoindol-1-one;5-bromo-2-[(4-methoxyphenyl)methyl]-3-methyl-3H-isoindol-1-one;N-(4-bromo-2-pyridinyl)cyclopropanecarboxamide;2-[(4-methoxyphenyl)methyl]-3,5-dimethyl-3H-isoindol-1-one;N-[4-[[2-[(4-methoxyphenyl)methyl]-3-methyl-1-oxo-3H-isoindol-5-yl]methyl]-2-pyridinyl]cyclopropanecarboxamide;N-[4-[(3-methyl-1-oxo-2,3-dihydroisoindol-5-yl)methyl]-2-pyridinyl]cyclopropanecarboxamide?

The InChIKey is RZCYFGPQUWTGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O3.C19H19N3O2.C18H19NO2.C17H16BrNO2.C17H18N2O2.C9H9BrN2O/c1-17-24-14-19(13-20-11-12-28-25(15-20)29-26(31)21-6-7-21)5-10-23(24)27(32)30(17)16-18-3-8-22(33-2)9-4-18;1-11-16-9-12(2-5-15(16)19(24)21-11)8-13-6-7-20-17(10-13)22-18(23)14-3-4-14;1-12-4-9-16-17(10-12)13(2)19(18(16)20)11-14-5-7-15(21-3)8-6-14;2*1-11-16-9-13(18)5-8-15(16)17(20)19(11)10-12-3-6-14(21-2)7-4-12;10-7-3-4-11-8(5-7)12-9(13)6-1-2-6/h3-5,8-12,14-15,17,21H,6-7,13,16H2,1-2H3,(H,28,29,31);2,5-7,9-11,14H,3-4,8H2,1H3,(H,21,24)(H,20,22,23);4-10,13H,11H2,1-3H3;3-9,11H,10H2,1-2H3;3-9,11H,10,18H2,1-2H3;3-6H,1-2H2,(H,11,12,13).

What are the key properties of 5-amino-2-[(4-methoxyphenyl)methyl]-3-methyl-3H-isoindol-1-one;5-bromo-2-[(4-methoxyphenyl)methyl]-3-methyl-3H-isoindol-1-one;N-(4-bromo-2-pyridinyl)cyclopropanecarboxamide;2-[(4-methoxyphenyl)methyl]-3,5-dimethyl-3H-isoindol-1-one;N-[4-[[2-[(4-methoxyphenyl)methyl]-3-methyl-1-oxo-3H-isoindol-5-yl]methyl]-2-pyridinyl]cyclopropanecarboxamide;N-[4-[(3-methyl-1-oxo-2,3-dihydroisoindol-5-yl)methyl]-2-pyridinyl]cyclopropanecarboxamide?

5-amino-2-[(4-methoxyphenyl)methyl]-3-methyl-3H-isoindol-1-one;5-bromo-2-[(4-methoxyphenyl)methyl]-3-methyl-3H-isoindol-1-one;N-(4-bromo-2-pyridinyl)cyclopropanecarboxamide;2-[(4-methoxyphenyl)methyl]-3,5-dimethyl-3H-isoindol-1-one;N-[4-[[2-[(4-methoxyphenyl)methyl]-3-methyl-1-oxo-3H-isoindol-5-yl]methyl]-2-pyridinyl]cyclopropanecarboxamide;N-[4-[(3-methyl-1-oxo-2,3-dihydroisoindol-5-yl)methyl]-2-pyridinyl]cyclopropanecarboxamide has a molecular weight of 1913.92 g/mol, XLogP of 20.65, 22 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-2-[(4-methoxyphenyl)methyl]-3-methyl-3H-isoindol-1-one;5-bromo-2-[(4-methoxyphenyl)methyl]-3-methyl-3H-isoindol-1-one;N-(4-bromo-2-pyridinyl)cyclopropanecarboxamide;2-[(4-methoxyphenyl)methyl]-3,5-dimethyl-3H-isoindol-1-one;N-[4-[[2-[(4-methoxyphenyl)methyl]-3-methyl-1-oxo-3H-isoindol-5-yl]methyl]-2-pyridinyl]cyclopropanecarboxamide;N-[4-[(3-methyl-1-oxo-2,3-dihydroisoindol-5-yl)methyl]-2-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 160769507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).