N-[3-[2-[(3R,5S)-3,5-dimethyl-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]-4,5,7,7-tetramethyltetrazolo[1,5-a]pyrimidine-6-carboxamide

C53H65N15O4 — CID 170452149

About N-[3-[2-[(3R,5S)-3,5-dimethyl-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]-4,5,7,7-tetramethyltetrazolo[1,5-a]pyrimidine-6-carboxamide

N-[3-[2-[(3R,5S)-3,5-dimethyl-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]-4,5,7,7-tetramethyltetrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 170452149) has the molecular formula C53H65N15O4 and a molecular weight of 976.20 g/mol. Its IUPAC name is N-[3-[2-[(3R,5S)-3,5-dimethyl-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]-4,5,7,7-tetramethyltetrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: N-[3-[2-[(3R,5S)-3,5-dimethyl-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]-4,5,7,7-tetramethyltetrazolo[1,5-a]pyrimidine-6-carboxamide
• PubChem CID: 170452149
• Molecular Formula: C53H65N15O4
• Molecular Weight: 976.20 g/mol
• Exact Mass: 975.53
• IUPAC Name: N-[3-[2-[(3R,5S)-3,5-dimethyl-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]-4,5,7,7-tetramethyltetrazolo[1,5-a]pyrimidine-6-carboxamide
• SMILES: C=C1CCC(N2C(=O)c3ccc(N4CCC(CN5CCC(CN6[C@H](C)CN(c7cc(-c8n[nH]c9ccc(NC(=O)C%10=C(C)N(C)c%11nnnn%11C%10(C)C)cc89)ccn7)C[C@@H]6C)CC5)CC4)cc3C2=O)C(=O)N1
• InChI: InChI=1S/C53H65N15O4/c1-31-8-13-44(48(69)55-31)67-50(71)40-11-10-39(26-41(40)51(67)72)64-22-17-35(18-23-64)29-63-20-15-36(16-21-63)30-66-32(2)27-65(28-33(66)3)45-24-37(14-19-54-45)47-42-25-38(9-12-43(42)57-58-47)56-49(70)46-34(4)62(7)52-59-60-61-68(52)53(46,5)6/h9-12,14,19,24-26,32-33,35-36,44H,1,8,13,15-18,20-23,27-30H2,2-7H3,(H,55,69)(H,56,70)(H,57,58)/t32-,33+,44?
• InChIKey: QKKRBWLCYOASTE-DPLWKMMGSA-N
• XLogP: 5.62
• TPSA: 196.95 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 10
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	976.20
LogP ≤ 5	5.62
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 N-[3-[2-[(3R,5S)-3,5-dimethyl-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]-4,5,7,7-tetramethyltetrazolo[1,5-a]pyrimidine-6-carboxamide?

The IUPAC name of N-[3-[2-[(3R,5S)-3,5-dimethyl-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]-4,5,7,7-tetramethyltetrazolo[1,5-a]pyrimidine-6-carboxamide (CID 170452149) is N-[3-[2-[(3R,5S)-3,5-dimethyl-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]-4,5,7,7-tetramethyltetrazolo[1,5-a]pyrimidine-6-carboxamide.

What is the SMILES notation for N-[3-[2-[(3R,5S)-3,5-dimethyl-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]-4,5,7,7-tetramethyltetrazolo[1,5-a]pyrimidine-6-carboxamide?

The canonical SMILES for N-[3-[2-[(3R,5S)-3,5-dimethyl-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]-4,5,7,7-tetramethyltetrazolo[1,5-a]pyrimidine-6-carboxamide is C=C1CCC(N2C(=O)c3ccc(N4CCC(CN5CCC(CN6[C@H](C)CN(c7cc(-c8n[nH]c9ccc(NC(=O)C%10=C(C)N(C)c%11nnnn%11C%10(C)C)cc89)ccn7)C[C@@H]6C)CC5)CC4)cc3C2=O)C(=O)N1.

What is the InChIKey of N-[3-[2-[(3R,5S)-3,5-dimethyl-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]-4,5,7,7-tetramethyltetrazolo[1,5-a]pyrimidine-6-carboxamide?

The InChIKey is QKKRBWLCYOASTE-DPLWKMMGSA-N. The full InChI is InChI=1S/C53H65N15O4/c1-31-8-13-44(48(69)55-31)67-50(71)40-11-10-39(26-41(40)51(67)72)64-22-17-35(18-23-64)29-63-20-15-36(16-21-63)30-66-32(2)27-65(28-33(66)3)45-24-37(14-19-54-45)47-42-25-38(9-12-43(42)57-58-47)56-49(70)46-34(4)62(7)52-59-60-61-68(52)53(46,5)6/h9-12,14,19,24-26,32-33,35-36,44H,1,8,13,15-18,20-23,27-30H2,2-7H3,(H,55,69)(H,56,70)(H,57,58)/t32-,33+,44?.

What are the key properties of N-[3-[2-[(3R,5S)-3,5-dimethyl-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]-4,5,7,7-tetramethyltetrazolo[1,5-a]pyrimidine-6-carboxamide?

N-[3-[2-[(3R,5S)-3,5-dimethyl-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]-4,5,7,7-tetramethyltetrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 976.20 g/mol, XLogP of 5.62, 10 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[2-[(3R,5S)-3,5-dimethyl-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]-4,5,7,7-tetramethyltetrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 170452149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).