1-[(4-bromophenyl)methyl]-4-methylpiperazine;1-[(4-methoxyphenyl)methyl]-5-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolo[2,3-b]pyridine;1-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;3-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine

C80H95BBrN11O4 — CID 159449810

About 1-[(4-bromophenyl)methyl]-4-methylpiperazine;1-[(4-methoxyphenyl)methyl]-5-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolo[2,3-b]pyridine;1-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;3-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine

1-[(4-bromophenyl)methyl]-4-methylpiperazine;1-[(4-methoxyphenyl)methyl]-5-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolo[2,3-b]pyridine;1-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;3-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine (PubChem CID 159449810) has the molecular formula C80H95BBrN11O4 and a molecular weight of 1365.43 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl]-4-methylpiperazine;1-[(4-methoxyphenyl)methyl]-5-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolo[2,3-b]pyridine;1-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;3-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine.

Molecular Properties

• Compound Name: 1-[(4-bromophenyl)methyl]-4-methylpiperazine;1-[(4-methoxyphenyl)methyl]-5-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolo[2,3-b]pyridine;1-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;3-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine
• PubChem CID: 159449810
• Molecular Formula: C80H95BBrN11O4
• Molecular Weight: 1365.43 g/mol
• Exact Mass: 1363.68
• IUPAC Name: 1-[(4-bromophenyl)methyl]-4-methylpiperazine;1-[(4-methoxyphenyl)methyl]-5-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolo[2,3-b]pyridine;1-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;3-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine
• SMILES: CN1CCN(Cc2ccc(Br)cc2)CC1.CN1CCN(Cc2cccc(-c3cnc4c(c3)C=CC4)c2)CC1.COc1ccc(Cn2ccc3cc(-c4cccc(CN5CCN(C)CC5)c4)cnc32)cc1.COc1ccc(Cn2ccc3cc(B4OC(C)(C)C(C)(C)O4)cnc32)cc1
• InChI: InChI=1S/C27H30N4O.C21H25BN2O3.C20H23N3.C12H17BrN2/c1-29-12-14-30(15-13-29)19-22-4-3-5-23(16-22)25-17-24-10-11-31(27(24)28-18-25)20-21-6-8-26(32-2)9-7-21;1-20(2)21(3,4)27-22(26-20)17-12-16-10-11-24(19(16)23-13-17)14-15-6-8-18(25-5)9-7-15;1-22-8-10-23(11-9-22)15-16-4-2-5-17(12-16)19-13-18-6-3-7-20(18)21-14-19;1-14-6-8-15(9-7-14)10-11-2-4-12(13)5-3-11/h3-11,16-18H,12-15,19-20H2,1-2H3;6-13H,14H2,1-5H3;2-6,12-14H,7-11,15H2,1H3;2-5H,6-10H2,1H3
• InChIKey: LTFOEERTOKBAFZ-UHFFFAOYSA-N
• XLogP: 13.16
• TPSA: 104.89 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 15
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1365.43
LogP ≤ 5	13.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methyl]-4-methylpiperazine;1-[(4-methoxyphenyl)methyl]-5-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolo[2,3-b]pyridine;1-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;3-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine?

The IUPAC name of 1-[(4-bromophenyl)methyl]-4-methylpiperazine;1-[(4-methoxyphenyl)methyl]-5-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolo[2,3-b]pyridine;1-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;3-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine (CID 159449810) is 1-[(4-bromophenyl)methyl]-4-methylpiperazine;1-[(4-methoxyphenyl)methyl]-5-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolo[2,3-b]pyridine;1-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;3-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine.

What is the SMILES notation for 1-[(4-bromophenyl)methyl]-4-methylpiperazine;1-[(4-methoxyphenyl)methyl]-5-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolo[2,3-b]pyridine;1-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;3-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine?

The canonical SMILES for 1-[(4-bromophenyl)methyl]-4-methylpiperazine;1-[(4-methoxyphenyl)methyl]-5-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolo[2,3-b]pyridine;1-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;3-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine is CN1CCN(Cc2ccc(Br)cc2)CC1.CN1CCN(Cc2cccc(-c3cnc4c(c3)C=CC4)c2)CC1.COc1ccc(Cn2ccc3cc(-c4cccc(CN5CCN(C)CC5)c4)cnc32)cc1.COc1ccc(Cn2ccc3cc(B4OC(C)(C)C(C)(C)O4)cnc32)cc1.

What is the InChIKey of 1-[(4-bromophenyl)methyl]-4-methylpiperazine;1-[(4-methoxyphenyl)methyl]-5-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolo[2,3-b]pyridine;1-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;3-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine?

The InChIKey is LTFOEERTOKBAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O.C21H25BN2O3.C20H23N3.C12H17BrN2/c1-29-12-14-30(15-13-29)19-22-4-3-5-23(16-22)25-17-24-10-11-31(27(24)28-18-25)20-21-6-8-26(32-2)9-7-21;1-20(2)21(3,4)27-22(26-20)17-12-16-10-11-24(19(16)23-13-17)14-15-6-8-18(25-5)9-7-15;1-22-8-10-23(11-9-22)15-16-4-2-5-17(12-16)19-13-18-6-3-7-20(18)21-14-19;1-14-6-8-15(9-7-14)10-11-2-4-12(13)5-3-11/h3-11,16-18H,12-15,19-20H2,1-2H3;6-13H,14H2,1-5H3;2-6,12-14H,7-11,15H2,1H3;2-5H,6-10H2,1H3.

What are the key properties of 1-[(4-bromophenyl)methyl]-4-methylpiperazine;1-[(4-methoxyphenyl)methyl]-5-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolo[2,3-b]pyridine;1-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;3-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine?

1-[(4-bromophenyl)methyl]-4-methylpiperazine;1-[(4-methoxyphenyl)methyl]-5-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolo[2,3-b]pyridine;1-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;3-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine has a molecular weight of 1365.43 g/mol, XLogP of 13.16, 15 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(4-bromophenyl)methyl]-4-methylpiperazine;1-[(4-methoxyphenyl)methyl]-5-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrrolo[2,3-b]pyridine;1-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;3-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridine is sourced from PubChem (CID 159449810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).