4,5,7,7-tetramethyl-N-[3-[2-[4-[[1-[[1-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]methyl]piperazin-1-yl]-4-pyridinyl]-1H-indazol-5-yl]tetrazolo[1,5-a]pyrimidine-6-carboxamide

C51H61N15O4 — CID 170452162

About 4,5,7,7-tetramethyl-N-[3-[2-[4-[[1-[[1-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]methyl]piperazin-1-yl]-4-pyridinyl]-1H-indazol-5-yl]tetrazolo[1,5-a]pyrimidine-6-carboxamide

4,5,7,7-tetramethyl-N-[3-[2-[4-[[1-[[1-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]methyl]piperazin-1-yl]-4-pyridinyl]-1H-indazol-5-yl]tetrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 170452162) has the molecular formula C51H61N15O4 and a molecular weight of 948.15 g/mol. Its IUPAC name is 4,5,7,7-tetramethyl-N-[3-[2-[4-[[1-[[1-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]methyl]piperazin-1-yl]-4-pyridinyl]-1H-indazol-5-yl]tetrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: 4,5,7,7-tetramethyl-N-[3-[2-[4-[[1-[[1-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]methyl]piperazin-1-yl]-4-pyridinyl]-1H-indazol-5-yl]tetrazolo[1,5-a]pyrimidine-6-carboxamide
• PubChem CID: 170452162
• Molecular Formula: C51H61N15O4
• Molecular Weight: 948.15 g/mol
• Exact Mass: 947.50
• IUPAC Name: 4,5,7,7-tetramethyl-N-[3-[2-[4-[[1-[[1-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]methyl]piperazin-1-yl]-4-pyridinyl]-1H-indazol-5-yl]tetrazolo[1,5-a]pyrimidine-6-carboxamide
• SMILES: C=C1CCC(N2C(=O)c3ccc(N4CCC(CN5CCC(CN6CCN(c7cc(-c8n[nH]c9ccc(NC(=O)C%10=C(C)N(C)c%11nnnn%11C%10(C)C)cc89)ccn7)CC6)CC5)CC4)cc3C2=O)C(=O)N1
• InChI: InChI=1S/C51H61N15O4/c1-31-6-11-42(46(67)53-31)65-48(69)38-9-8-37(28-39(38)49(65)70)63-20-15-34(16-21-63)29-61-18-13-33(14-19-61)30-62-22-24-64(25-23-62)43-26-35(12-17-52-43)45-40-27-36(7-10-41(40)55-56-45)54-47(68)44-32(2)60(5)50-57-58-59-66(50)51(44,3)4/h7-10,12,17,26-28,33-34,42H,1,6,11,13-16,18-25,29-30H2,2-5H3,(H,53,67)(H,54,68)(H,55,56)
• InChIKey: AERNGPTXMDYTBA-UHFFFAOYSA-N
• XLogP: 4.85
• TPSA: 196.95 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 10
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	948.15
LogP ≤ 5	4.85
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4,5,7,7-tetramethyl-N-[3-[2-[4-[[1-[[1-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]methyl]piperazin-1-yl]-4-pyridinyl]-1H-indazol-5-yl]tetrazolo[1,5-a]pyrimidine-6-carboxamide?

The IUPAC name of 4,5,7,7-tetramethyl-N-[3-[2-[4-[[1-[[1-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]methyl]piperazin-1-yl]-4-pyridinyl]-1H-indazol-5-yl]tetrazolo[1,5-a]pyrimidine-6-carboxamide (CID 170452162) is 4,5,7,7-tetramethyl-N-[3-[2-[4-[[1-[[1-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]methyl]piperazin-1-yl]-4-pyridinyl]-1H-indazol-5-yl]tetrazolo[1,5-a]pyrimidine-6-carboxamide.

What is the SMILES notation for 4,5,7,7-tetramethyl-N-[3-[2-[4-[[1-[[1-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]methyl]piperazin-1-yl]-4-pyridinyl]-1H-indazol-5-yl]tetrazolo[1,5-a]pyrimidine-6-carboxamide?

The canonical SMILES for 4,5,7,7-tetramethyl-N-[3-[2-[4-[[1-[[1-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]methyl]piperazin-1-yl]-4-pyridinyl]-1H-indazol-5-yl]tetrazolo[1,5-a]pyrimidine-6-carboxamide is C=C1CCC(N2C(=O)c3ccc(N4CCC(CN5CCC(CN6CCN(c7cc(-c8n[nH]c9ccc(NC(=O)C%10=C(C)N(C)c%11nnnn%11C%10(C)C)cc89)ccn7)CC6)CC5)CC4)cc3C2=O)C(=O)N1.

What is the InChIKey of 4,5,7,7-tetramethyl-N-[3-[2-[4-[[1-[[1-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]methyl]piperazin-1-yl]-4-pyridinyl]-1H-indazol-5-yl]tetrazolo[1,5-a]pyrimidine-6-carboxamide?

The InChIKey is AERNGPTXMDYTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H61N15O4/c1-31-6-11-42(46(67)53-31)65-48(69)38-9-8-37(28-39(38)49(65)70)63-20-15-34(16-21-63)29-61-18-13-33(14-19-61)30-62-22-24-64(25-23-62)43-26-35(12-17-52-43)45-40-27-36(7-10-41(40)55-56-45)54-47(68)44-32(2)60(5)50-57-58-59-66(50)51(44,3)4/h7-10,12,17,26-28,33-34,42H,1,6,11,13-16,18-25,29-30H2,2-5H3,(H,53,67)(H,54,68)(H,55,56).

What are the key properties of 4,5,7,7-tetramethyl-N-[3-[2-[4-[[1-[[1-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]methyl]piperazin-1-yl]-4-pyridinyl]-1H-indazol-5-yl]tetrazolo[1,5-a]pyrimidine-6-carboxamide?

4,5,7,7-tetramethyl-N-[3-[2-[4-[[1-[[1-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]methyl]piperazin-1-yl]-4-pyridinyl]-1H-indazol-5-yl]tetrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 948.15 g/mol, XLogP of 4.85, 10 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 4,5,7,7-tetramethyl-N-[3-[2-[4-[[1-[[1-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]methyl]piperazin-1-yl]-4-pyridinyl]-1H-indazol-5-yl]tetrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 170452162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).