(2Z)-3-amino-N-[3-[2-[4-[2-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethoxy]ethyl]-3,5-dimethylpiperazin-1-yl]-4-pyridinyl]-1H-indazol-5-yl]-2-hydrazinylidene-1,6-dimethyl-4H-pyrimidine-5-carboxamide

C46H57N15O6 — CID 166768363

About (2Z)-3-amino-N-[3-[2-[4-[2-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethoxy]ethyl]-3,5-dimethylpiperazin-1-yl]-4-pyridinyl]-1H-indazol-5-yl]-2-hydrazinylidene-1,6-dimethyl-4H-pyrimidine-5-carboxamide

(2Z)-3-amino-N-[3-[2-[4-[2-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethoxy]ethyl]-3,5-dimethylpiperazin-1-yl]-4-pyridinyl]-1H-indazol-5-yl]-2-hydrazinylidene-1,6-dimethyl-4H-pyrimidine-5-carboxamide (PubChem CID 166768363) has the molecular formula C46H57N15O6 and a molecular weight of 916.06 g/mol. Its IUPAC name is (2Z)-3-amino-N-[3-[2-[4-[2-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethoxy]ethyl]-3,5-dimethylpiperazin-1-yl]-4-pyridinyl]-1H-indazol-5-yl]-2-hydrazinylidene-1,6-dimethyl-4H-pyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: (2Z)-3-amino-N-[3-[2-[4-[2-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethoxy]ethyl]-3,5-dimethylpiperazin-1-yl]-4-pyridinyl]-1H-indazol-5-yl]-2-hydrazinylidene-1,6-dimethyl-4H-pyrimidine-5-carboxamide
• PubChem CID: 166768363
• Molecular Formula: C46H57N15O6
• Molecular Weight: 916.06 g/mol
• Exact Mass: 915.46
• IUPAC Name: (2Z)-3-amino-N-[3-[2-[4-[2-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethoxy]ethyl]-3,5-dimethylpiperazin-1-yl]-4-pyridinyl]-1H-indazol-5-yl]-2-hydrazinylidene-1,6-dimethyl-4H-pyrimidine-5-carboxamide
• SMILES: CC1=C(C(=O)Nc2ccc3[nH]nc(-c4ccnc(N5CC(C)N(CCOCCN6CCN(c7ccc8c(c7)C(=O)N(C7CCC(=O)NC7=O)C8=O)CC6)C(C)C5)c4)c3c2)CN(N)/C(=N\N)N1C
• InChI: InChI=1S/C46H57N15O6/c1-27-24-58(39-21-30(11-12-49-39)41-35-22-31(5-8-37(35)53-54-41)50-42(63)36-26-60(48)46(52-47)55(4)29(36)3)25-28(2)59(27)18-20-67-19-17-56-13-15-57(16-14-56)32-6-7-33-34(23-32)45(66)61(44(33)65)38-9-10-40(62)51-43(38)64/h5-8,11-12,21-23,27-28,38H,9-10,13-20,24-26,47-48H2,1-4H3,(H,50,63)(H,53,54)(H,51,62,64)/b52-46-
• InChIKey: LISFLNHGEDCRTP-ZPCKONPPSA-N
• XLogP: 1.33
• TPSA: 247.29 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 15
• Rotatable Bonds: 12
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	916.06
LogP ≤ 5	1.33
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2Z)-3-amino-N-[3-[2-[4-[2-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethoxy]ethyl]-3,5-dimethylpiperazin-1-yl]-4-pyridinyl]-1H-indazol-5-yl]-2-hydrazinylidene-1,6-dimethyl-4H-pyrimidine-5-carboxamide?

The IUPAC name of (2Z)-3-amino-N-[3-[2-[4-[2-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethoxy]ethyl]-3,5-dimethylpiperazin-1-yl]-4-pyridinyl]-1H-indazol-5-yl]-2-hydrazinylidene-1,6-dimethyl-4H-pyrimidine-5-carboxamide (CID 166768363) is (2Z)-3-amino-N-[3-[2-[4-[2-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethoxy]ethyl]-3,5-dimethylpiperazin-1-yl]-4-pyridinyl]-1H-indazol-5-yl]-2-hydrazinylidene-1,6-dimethyl-4H-pyrimidine-5-carboxamide.

What is the SMILES notation for (2Z)-3-amino-N-[3-[2-[4-[2-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethoxy]ethyl]-3,5-dimethylpiperazin-1-yl]-4-pyridinyl]-1H-indazol-5-yl]-2-hydrazinylidene-1,6-dimethyl-4H-pyrimidine-5-carboxamide?

The canonical SMILES for (2Z)-3-amino-N-[3-[2-[4-[2-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethoxy]ethyl]-3,5-dimethylpiperazin-1-yl]-4-pyridinyl]-1H-indazol-5-yl]-2-hydrazinylidene-1,6-dimethyl-4H-pyrimidine-5-carboxamide is CC1=C(C(=O)Nc2ccc3[nH]nc(-c4ccnc(N5CC(C)N(CCOCCN6CCN(c7ccc8c(c7)C(=O)N(C7CCC(=O)NC7=O)C8=O)CC6)C(C)C5)c4)c3c2)CN(N)/C(=N\N)N1C.

What is the InChIKey of (2Z)-3-amino-N-[3-[2-[4-[2-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethoxy]ethyl]-3,5-dimethylpiperazin-1-yl]-4-pyridinyl]-1H-indazol-5-yl]-2-hydrazinylidene-1,6-dimethyl-4H-pyrimidine-5-carboxamide?

The InChIKey is LISFLNHGEDCRTP-ZPCKONPPSA-N. The full InChI is InChI=1S/C46H57N15O6/c1-27-24-58(39-21-30(11-12-49-39)41-35-22-31(5-8-37(35)53-54-41)50-42(63)36-26-60(48)46(52-47)55(4)29(36)3)25-28(2)59(27)18-20-67-19-17-56-13-15-57(16-14-56)32-6-7-33-34(23-32)45(66)61(44(33)65)38-9-10-40(62)51-43(38)64/h5-8,11-12,21-23,27-28,38H,9-10,13-20,24-26,47-48H2,1-4H3,(H,50,63)(H,53,54)(H,51,62,64)/b52-46-.

What are the key properties of (2Z)-3-amino-N-[3-[2-[4-[2-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethoxy]ethyl]-3,5-dimethylpiperazin-1-yl]-4-pyridinyl]-1H-indazol-5-yl]-2-hydrazinylidene-1,6-dimethyl-4H-pyrimidine-5-carboxamide?

(2Z)-3-amino-N-[3-[2-[4-[2-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethoxy]ethyl]-3,5-dimethylpiperazin-1-yl]-4-pyridinyl]-1H-indazol-5-yl]-2-hydrazinylidene-1,6-dimethyl-4H-pyrimidine-5-carboxamide has a molecular weight of 916.06 g/mol, XLogP of 1.33, 12 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z)-3-amino-N-[3-[2-[4-[2-[2-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]ethoxy]ethyl]-3,5-dimethylpiperazin-1-yl]-4-pyridinyl]-1H-indazol-5-yl]-2-hydrazinylidene-1,6-dimethyl-4H-pyrimidine-5-carboxamide is sourced from PubChem (CID 166768363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).