bis(2-(2-amino-5-cyclopenta-1,3-dien-1-ylphenyl)-1-(6-piperazin-1-yl-3-pyridinyl)ethanone);2-[2-amino-5-(furan-3-yl)phenyl]-1-(6-piperazin-1-yl-3-pyridinyl)ethanone;2-(2-amino-5-phenylphenyl)-1-(6-piperazin-1-yl-3-pyridinyl)ethanone;2-(2-amino-5-pyridin-4-ylphenyl)-1-(6-piperazin-1-yl-3-pyridinyl)ethanone

C110H117N21O6 — CID 158655640

About bis(2-(2-amino-5-cyclopenta-1,3-dien-1-ylphenyl)-1-(6-piperazin-1-yl-3-pyridinyl)ethanone);2-[2-amino-5-(furan-3-yl)phenyl]-1-(6-piperazin-1-yl-3-pyridinyl)ethanone;2-(2-amino-5-phenylphenyl)-1-(6-piperazin-1-yl-3-pyridinyl)ethanone;2-(2-amino-5-pyridin-4-ylphenyl)-1-(6-piperazin-1-yl-3-pyridinyl)ethanone

bis(2-(2-amino-5-cyclopenta-1,3-dien-1-ylphenyl)-1-(6-piperazin-1-yl-3-pyridinyl)ethanone);2-[2-amino-5-(furan-3-yl)phenyl]-1-(6-piperazin-1-yl-3-pyridinyl)ethanone;2-(2-amino-5-phenylphenyl)-1-(6-piperazin-1-yl-3-pyridinyl)ethanone;2-(2-amino-5-pyridin-4-ylphenyl)-1-(6-piperazin-1-yl-3-pyridinyl)ethanone (PubChem CID 158655640) has the molecular formula C110H117N21O6 and a molecular weight of 1829.29 g/mol. Its IUPAC name is bis(2-(2-amino-5-cyclopenta-1,3-dien-1-ylphenyl)-1-(6-piperazin-1-yl-3-pyridinyl)ethanone);2-[2-amino-5-(furan-3-yl)phenyl]-1-(6-piperazin-1-yl-3-pyridinyl)ethanone;2-(2-amino-5-phenylphenyl)-1-(6-piperazin-1-yl-3-pyridinyl)ethanone;2-(2-amino-5-pyridin-4-ylphenyl)-1-(6-piperazin-1-yl-3-pyridinyl)ethanone.

Molecular Properties

• Compound Name: bis(2-(2-amino-5-cyclopenta-1,3-dien-1-ylphenyl)-1-(6-piperazin-1-yl-3-pyridinyl)ethanone);2-[2-amino-5-(furan-3-yl)phenyl]-1-(6-piperazin-1-yl-3-pyridinyl)ethanone;2-(2-amino-5-phenylphenyl)-1-(6-piperazin-1-yl-3-pyridinyl)ethanone;2-(2-amino-5-pyridin-4-ylphenyl)-1-(6-piperazin-1-yl-3-pyridinyl)ethanone
• PubChem CID: 158655640
• Molecular Formula: C110H117N21O6
• Molecular Weight: 1829.29 g/mol
• Exact Mass: 1827.95
• IUPAC Name: bis(2-(2-amino-5-cyclopenta-1,3-dien-1-ylphenyl)-1-(6-piperazin-1-yl-3-pyridinyl)ethanone);2-[2-amino-5-(furan-3-yl)phenyl]-1-(6-piperazin-1-yl-3-pyridinyl)ethanone;2-(2-amino-5-phenylphenyl)-1-(6-piperazin-1-yl-3-pyridinyl)ethanone;2-(2-amino-5-pyridin-4-ylphenyl)-1-(6-piperazin-1-yl-3-pyridinyl)ethanone
• SMILES: Nc1ccc(-c2ccccc2)cc1CC(=O)c1ccc(N2CCNCC2)nc1.Nc1ccc(-c2ccncc2)cc1CC(=O)c1ccc(N2CCNCC2)nc1.Nc1ccc(-c2ccoc2)cc1CC(=O)c1ccc(N2CCNCC2)nc1.Nc1ccc(C2=CC=CC2)cc1CC(=O)c1ccc(N2CCNCC2)nc1.Nc1ccc(C2=CC=CC2)cc1CC(=O)c1ccc(N2CCNCC2)nc1
• InChI: InChI=1S/C23H24N4O.C22H23N5O.2C22H24N4O.C21H22N4O2/c24-21-8-6-18(17-4-2-1-3-5-17)14-20(21)15-22(28)19-7-9-23(26-16-19)27-12-10-25-11-13-27;23-20-3-1-17(16-5-7-24-8-6-16)13-19(20)14-21(28)18-2-4-22(26-15-18)27-11-9-25-10-12-27;2*23-20-7-5-17(16-3-1-2-4-16)13-19(20)14-21(27)18-6-8-22(25-15-18)26-11-9-24-10-12-26;22-19-3-1-15(17-5-10-27-14-17)11-18(19)12-20(26)16-2-4-21(24-13-16)25-8-6-23-7-9-25/h1-9,14,16,25H,10-13,15,24H2;1-8,13,15,25H,9-12,14,23H2;2*1-3,5-8,13,15,24H,4,9-12,14,23H2;1-5,10-11,13-14,23H,6-9,12,22H2
• InChIKey: ICCGMQFRCASRJI-UHFFFAOYSA-N
• XLogP: 14.17
• TPSA: 382.28 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 27
• Rotatable Bonds: 25
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1829.29
LogP ≤ 5	14.17
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(2-(2-amino-5-cyclopenta-1,3-dien-1-ylphenyl)-1-(6-piperazin-1-yl-3-pyridinyl)ethanone);2-[2-amino-5-(furan-3-yl)phenyl]-1-(6-piperazin-1-yl-3-pyridinyl)ethanone;2-(2-amino-5-phenylphenyl)-1-(6-piperazin-1-yl-3-pyridinyl)ethanone;2-(2-amino-5-pyridin-4-ylphenyl)-1-(6-piperazin-1-yl-3-pyridinyl)ethanone?

The IUPAC name of bis(2-(2-amino-5-cyclopenta-1,3-dien-1-ylphenyl)-1-(6-piperazin-1-yl-3-pyridinyl)ethanone);2-[2-amino-5-(furan-3-yl)phenyl]-1-(6-piperazin-1-yl-3-pyridinyl)ethanone;2-(2-amino-5-phenylphenyl)-1-(6-piperazin-1-yl-3-pyridinyl)ethanone;2-(2-amino-5-pyridin-4-ylphenyl)-1-(6-piperazin-1-yl-3-pyridinyl)ethanone (CID 158655640) is bis(2-(2-amino-5-cyclopenta-1,3-dien-1-ylphenyl)-1-(6-piperazin-1-yl-3-pyridinyl)ethanone);2-[2-amino-5-(furan-3-yl)phenyl]-1-(6-piperazin-1-yl-3-pyridinyl)ethanone;2-(2-amino-5-phenylphenyl)-1-(6-piperazin-1-yl-3-pyridinyl)ethanone;2-(2-amino-5-pyridin-4-ylphenyl)-1-(6-piperazin-1-yl-3-pyridinyl)ethanone.

What is the SMILES notation for bis(2-(2-amino-5-cyclopenta-1,3-dien-1-ylphenyl)-1-(6-piperazin-1-yl-3-pyridinyl)ethanone);2-[2-amino-5-(furan-3-yl)phenyl]-1-(6-piperazin-1-yl-3-pyridinyl)ethanone;2-(2-amino-5-phenylphenyl)-1-(6-piperazin-1-yl-3-pyridinyl)ethanone;2-(2-amino-5-pyridin-4-ylphenyl)-1-(6-piperazin-1-yl-3-pyridinyl)ethanone?

The canonical SMILES for bis(2-(2-amino-5-cyclopenta-1,3-dien-1-ylphenyl)-1-(6-piperazin-1-yl-3-pyridinyl)ethanone);2-[2-amino-5-(furan-3-yl)phenyl]-1-(6-piperazin-1-yl-3-pyridinyl)ethanone;2-(2-amino-5-phenylphenyl)-1-(6-piperazin-1-yl-3-pyridinyl)ethanone;2-(2-amino-5-pyridin-4-ylphenyl)-1-(6-piperazin-1-yl-3-pyridinyl)ethanone is Nc1ccc(-c2ccccc2)cc1CC(=O)c1ccc(N2CCNCC2)nc1.Nc1ccc(-c2ccncc2)cc1CC(=O)c1ccc(N2CCNCC2)nc1.Nc1ccc(-c2ccoc2)cc1CC(=O)c1ccc(N2CCNCC2)nc1.Nc1ccc(C2=CC=CC2)cc1CC(=O)c1ccc(N2CCNCC2)nc1.Nc1ccc(C2=CC=CC2)cc1CC(=O)c1ccc(N2CCNCC2)nc1.

What is the InChIKey of bis(2-(2-amino-5-cyclopenta-1,3-dien-1-ylphenyl)-1-(6-piperazin-1-yl-3-pyridinyl)ethanone);2-[2-amino-5-(furan-3-yl)phenyl]-1-(6-piperazin-1-yl-3-pyridinyl)ethanone;2-(2-amino-5-phenylphenyl)-1-(6-piperazin-1-yl-3-pyridinyl)ethanone;2-(2-amino-5-pyridin-4-ylphenyl)-1-(6-piperazin-1-yl-3-pyridinyl)ethanone?

The InChIKey is ICCGMQFRCASRJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O.C22H23N5O.2C22H24N4O.C21H22N4O2/c24-21-8-6-18(17-4-2-1-3-5-17)14-20(21)15-22(28)19-7-9-23(26-16-19)27-12-10-25-11-13-27;23-20-3-1-17(16-5-7-24-8-6-16)13-19(20)14-21(28)18-2-4-22(26-15-18)27-11-9-25-10-12-27;2*23-20-7-5-17(16-3-1-2-4-16)13-19(20)14-21(27)18-6-8-22(25-15-18)26-11-9-24-10-12-26;22-19-3-1-15(17-5-10-27-14-17)11-18(19)12-20(26)16-2-4-21(24-13-16)25-8-6-23-7-9-25/h1-9,14,16,25H,10-13,15,24H2;1-8,13,15,25H,9-12,14,23H2;2*1-3,5-8,13,15,24H,4,9-12,14,23H2;1-5,10-11,13-14,23H,6-9,12,22H2.

What are the key properties of bis(2-(2-amino-5-cyclopenta-1,3-dien-1-ylphenyl)-1-(6-piperazin-1-yl-3-pyridinyl)ethanone);2-[2-amino-5-(furan-3-yl)phenyl]-1-(6-piperazin-1-yl-3-pyridinyl)ethanone;2-(2-amino-5-phenylphenyl)-1-(6-piperazin-1-yl-3-pyridinyl)ethanone;2-(2-amino-5-pyridin-4-ylphenyl)-1-(6-piperazin-1-yl-3-pyridinyl)ethanone?

bis(2-(2-amino-5-cyclopenta-1,3-dien-1-ylphenyl)-1-(6-piperazin-1-yl-3-pyridinyl)ethanone);2-[2-amino-5-(furan-3-yl)phenyl]-1-(6-piperazin-1-yl-3-pyridinyl)ethanone;2-(2-amino-5-phenylphenyl)-1-(6-piperazin-1-yl-3-pyridinyl)ethanone;2-(2-amino-5-pyridin-4-ylphenyl)-1-(6-piperazin-1-yl-3-pyridinyl)ethanone has a molecular weight of 1829.29 g/mol, XLogP of 14.17, 25 rotatable bonds, 10 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-(2-amino-5-cyclopenta-1,3-dien-1-ylphenyl)-1-(6-piperazin-1-yl-3-pyridinyl)ethanone);2-[2-amino-5-(furan-3-yl)phenyl]-1-(6-piperazin-1-yl-3-pyridinyl)ethanone;2-(2-amino-5-phenylphenyl)-1-(6-piperazin-1-yl-3-pyridinyl)ethanone;2-(2-amino-5-pyridin-4-ylphenyl)-1-(6-piperazin-1-yl-3-pyridinyl)ethanone is sourced from PubChem (CID 158655640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).