2-(2-amino-5-phenylphenyl)-1-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]ethanone;tert-butyl N-[2-[2-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-oxoethyl]-4-phenylphenyl]carbamate;methyl 5-bromopyridine-2-carboxylate;methyl 5-(4-methylpiperazin-1-yl)pyridine-2-carboxylate;1-methylpiperazine;5-(4-methylpiperazin-1-yl)pyridine-2-carboxylic acid

C88H110BrN17O10 — CID 162205645

About 2-(2-amino-5-phenylphenyl)-1-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]ethanone;tert-butyl N-[2-[2-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-oxoethyl]-4-phenylphenyl]carbamate;methyl 5-bromopyridine-2-carboxylate;methyl 5-(4-methylpiperazin-1-yl)pyridine-2-carboxylate;1-methylpiperazine;5-(4-methylpiperazin-1-yl)pyridine-2-carboxylic acid

2-(2-amino-5-phenylphenyl)-1-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]ethanone;tert-butyl N-[2-[2-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-oxoethyl]-4-phenylphenyl]carbamate;methyl 5-bromopyridine-2-carboxylate;methyl 5-(4-methylpiperazin-1-yl)pyridine-2-carboxylate;1-methylpiperazine;5-(4-methylpiperazin-1-yl)pyridine-2-carboxylic acid (PubChem CID 162205645) has the molecular formula C88H110BrN17O10 and a molecular weight of 1645.86 g/mol. Its IUPAC name is 2-(2-amino-5-phenylphenyl)-1-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]ethanone;tert-butyl N-[2-[2-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-oxoethyl]-4-phenylphenyl]carbamate;methyl 5-bromopyridine-2-carboxylate;methyl 5-(4-methylpiperazin-1-yl)pyridine-2-carboxylate;1-methylpiperazine;5-(4-methylpiperazin-1-yl)pyridine-2-carboxylic acid.

Molecular Properties

• Compound Name: 2-(2-amino-5-phenylphenyl)-1-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]ethanone;tert-butyl N-[2-[2-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-oxoethyl]-4-phenylphenyl]carbamate;methyl 5-bromopyridine-2-carboxylate;methyl 5-(4-methylpiperazin-1-yl)pyridine-2-carboxylate;1-methylpiperazine;5-(4-methylpiperazin-1-yl)pyridine-2-carboxylic acid
• PubChem CID: 162205645
• Molecular Formula: C88H110BrN17O10
• Molecular Weight: 1645.86 g/mol
• Exact Mass: 1643.78
• IUPAC Name: 2-(2-amino-5-phenylphenyl)-1-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]ethanone;tert-butyl N-[2-[2-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-oxoethyl]-4-phenylphenyl]carbamate;methyl 5-bromopyridine-2-carboxylate;methyl 5-(4-methylpiperazin-1-yl)pyridine-2-carboxylate;1-methylpiperazine;5-(4-methylpiperazin-1-yl)pyridine-2-carboxylic acid
• SMILES: CN1CCN(c2ccc(C(=O)Cc3cc(-c4ccccc4)ccc3N)nc2)CC1.CN1CCN(c2ccc(C(=O)Cc3cc(-c4ccccc4)ccc3NC(=O)OC(C)(C)C)nc2)CC1.CN1CCN(c2ccc(C(=O)O)nc2)CC1.CN1CCNCC1.COC(=O)c1ccc(Br)cn1.COC(=O)c1ccc(N2CCN(C)CC2)cn1
• InChI: InChI=1S/C29H34N4O3.C24H26N4O.C12H17N3O2.C11H15N3O2.C7H6BrNO2.C5H12N2/c1-29(2,3)36-28(35)31-25-12-10-22(21-8-6-5-7-9-21)18-23(25)19-27(34)26-13-11-24(20-30-26)33-16-14-32(4)15-17-33;1-27-11-13-28(14-12-27)21-8-10-23(26-17-21)24(29)16-20-15-19(7-9-22(20)25)18-5-3-2-4-6-18;1-14-5-7-15(8-6-14)10-3-4-11(13-9-10)12(16)17-2;1-13-4-6-14(7-5-13)9-2-3-10(11(15)16)12-8-9;1-11-7(10)6-3-2-5(8)4-9-6;1-7-4-2-6-3-5-7/h5-13,18,20H,14-17,19H2,1-4H3,(H,31,35);2-10,15,17H,11-14,16,25H2,1H3;3-4,9H,5-8H2,1-2H3;2-3,8H,4-7H2,1H3,(H,15,16);2-4H,1H3;6H,2-5H2,1H3
• InChIKey: ZSDPWIRTFALKBH-UHFFFAOYSA-N
• XLogP: 11.08
• TPSA: 294.03 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 25
• Rotatable Bonds: 16
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1645.86
LogP ≤ 5	11.08
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-phenylphenyl)-1-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]ethanone;tert-butyl N-[2-[2-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-oxoethyl]-4-phenylphenyl]carbamate;methyl 5-bromopyridine-2-carboxylate;methyl 5-(4-methylpiperazin-1-yl)pyridine-2-carboxylate;1-methylpiperazine;5-(4-methylpiperazin-1-yl)pyridine-2-carboxylic acid?

The IUPAC name of 2-(2-amino-5-phenylphenyl)-1-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]ethanone;tert-butyl N-[2-[2-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-oxoethyl]-4-phenylphenyl]carbamate;methyl 5-bromopyridine-2-carboxylate;methyl 5-(4-methylpiperazin-1-yl)pyridine-2-carboxylate;1-methylpiperazine;5-(4-methylpiperazin-1-yl)pyridine-2-carboxylic acid (CID 162205645) is 2-(2-amino-5-phenylphenyl)-1-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]ethanone;tert-butyl N-[2-[2-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-oxoethyl]-4-phenylphenyl]carbamate;methyl 5-bromopyridine-2-carboxylate;methyl 5-(4-methylpiperazin-1-yl)pyridine-2-carboxylate;1-methylpiperazine;5-(4-methylpiperazin-1-yl)pyridine-2-carboxylic acid.

What is the SMILES notation for 2-(2-amino-5-phenylphenyl)-1-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]ethanone;tert-butyl N-[2-[2-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-oxoethyl]-4-phenylphenyl]carbamate;methyl 5-bromopyridine-2-carboxylate;methyl 5-(4-methylpiperazin-1-yl)pyridine-2-carboxylate;1-methylpiperazine;5-(4-methylpiperazin-1-yl)pyridine-2-carboxylic acid?

The canonical SMILES for 2-(2-amino-5-phenylphenyl)-1-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]ethanone;tert-butyl N-[2-[2-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-oxoethyl]-4-phenylphenyl]carbamate;methyl 5-bromopyridine-2-carboxylate;methyl 5-(4-methylpiperazin-1-yl)pyridine-2-carboxylate;1-methylpiperazine;5-(4-methylpiperazin-1-yl)pyridine-2-carboxylic acid is CN1CCN(c2ccc(C(=O)Cc3cc(-c4ccccc4)ccc3N)nc2)CC1.CN1CCN(c2ccc(C(=O)Cc3cc(-c4ccccc4)ccc3NC(=O)OC(C)(C)C)nc2)CC1.CN1CCN(c2ccc(C(=O)O)nc2)CC1.CN1CCNCC1.COC(=O)c1ccc(Br)cn1.COC(=O)c1ccc(N2CCN(C)CC2)cn1.

What is the InChIKey of 2-(2-amino-5-phenylphenyl)-1-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]ethanone;tert-butyl N-[2-[2-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-oxoethyl]-4-phenylphenyl]carbamate;methyl 5-bromopyridine-2-carboxylate;methyl 5-(4-methylpiperazin-1-yl)pyridine-2-carboxylate;1-methylpiperazine;5-(4-methylpiperazin-1-yl)pyridine-2-carboxylic acid?

The InChIKey is ZSDPWIRTFALKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N4O3.C24H26N4O.C12H17N3O2.C11H15N3O2.C7H6BrNO2.C5H12N2/c1-29(2,3)36-28(35)31-25-12-10-22(21-8-6-5-7-9-21)18-23(25)19-27(34)26-13-11-24(20-30-26)33-16-14-32(4)15-17-33;1-27-11-13-28(14-12-27)21-8-10-23(26-17-21)24(29)16-20-15-19(7-9-22(20)25)18-5-3-2-4-6-18;1-14-5-7-15(8-6-14)10-3-4-11(13-9-10)12(16)17-2;1-13-4-6-14(7-5-13)9-2-3-10(11(15)16)12-8-9;1-11-7(10)6-3-2-5(8)4-9-6;1-7-4-2-6-3-5-7/h5-13,18,20H,14-17,19H2,1-4H3,(H,31,35);2-10,15,17H,11-14,16,25H2,1H3;3-4,9H,5-8H2,1-2H3;2-3,8H,4-7H2,1H3,(H,15,16);2-4H,1H3;6H,2-5H2,1H3.

What are the key properties of 2-(2-amino-5-phenylphenyl)-1-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]ethanone;tert-butyl N-[2-[2-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-oxoethyl]-4-phenylphenyl]carbamate;methyl 5-bromopyridine-2-carboxylate;methyl 5-(4-methylpiperazin-1-yl)pyridine-2-carboxylate;1-methylpiperazine;5-(4-methylpiperazin-1-yl)pyridine-2-carboxylic acid?

2-(2-amino-5-phenylphenyl)-1-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]ethanone;tert-butyl N-[2-[2-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-oxoethyl]-4-phenylphenyl]carbamate;methyl 5-bromopyridine-2-carboxylate;methyl 5-(4-methylpiperazin-1-yl)pyridine-2-carboxylate;1-methylpiperazine;5-(4-methylpiperazin-1-yl)pyridine-2-carboxylic acid has a molecular weight of 1645.86 g/mol, XLogP of 11.08, 16 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-amino-5-phenylphenyl)-1-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]ethanone;tert-butyl N-[2-[2-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-oxoethyl]-4-phenylphenyl]carbamate;methyl 5-bromopyridine-2-carboxylate;methyl 5-(4-methylpiperazin-1-yl)pyridine-2-carboxylate;1-methylpiperazine;5-(4-methylpiperazin-1-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 162205645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).