6-[2-[[1-[3-[1-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-4-oxo-1,2,3-benzotriazin-7-yl]piperidin-4-yl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]pyridine-3-carboxamide

C46H53ClN10O5 — CID 162688841

About 6-[2-[[1-[3-[1-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-4-oxo-1,2,3-benzotriazin-7-yl]piperidin-4-yl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]pyridine-3-carboxamide

6-[2-[[1-[3-[1-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-4-oxo-1,2,3-benzotriazin-7-yl]piperidin-4-yl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]pyridine-3-carboxamide (PubChem CID 162688841) has the molecular formula C46H53ClN10O5 and a molecular weight of 861.45 g/mol. Its IUPAC name is 6-[2-[[1-[3-[1-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-4-oxo-1,2,3-benzotriazin-7-yl]piperidin-4-yl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[2-[[1-[3-[1-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-4-oxo-1,2,3-benzotriazin-7-yl]piperidin-4-yl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]pyridine-3-carboxamide
• PubChem CID: 162688841
• Molecular Formula: C46H53ClN10O5
• Molecular Weight: 861.45 g/mol
• Exact Mass: 860.39
• IUPAC Name: 6-[2-[[1-[3-[1-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-4-oxo-1,2,3-benzotriazin-7-yl]piperidin-4-yl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]pyridine-3-carboxamide
• SMILES: CC1(C)C(Oc2ccc(C#N)c(Cl)c2)C(C)(C)C1N1C(=O)CCC(n2nnc3cc(N4CCC(CN5CC6(CCN(c7ccc(C(N)=O)cn7)CC6)C5)CC4)ccc3c2=O)C1=O
• InChI: InChI=1S/C46H53ClN10O5/c1-44(2)42(45(3,4)43(44)62-32-8-5-29(23-48)34(47)22-32)56-38(58)12-10-36(41(56)61)57-40(60)33-9-7-31(21-35(33)51-52-57)54-17-13-28(14-18-54)25-53-26-46(27-53)15-19-55(20-16-46)37-11-6-30(24-50-37)39(49)59/h5-9,11,21-22,24,28,36,42-43H,10,12-20,25-27H2,1-4H3,(H2,49,59)
• InChIKey: UEUARMMIKFRVCX-UHFFFAOYSA-N
• XLogP: 5.20
• TPSA: 183.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 9
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	861.45
LogP ≤ 5	5.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[2-[[1-[3-[1-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-4-oxo-1,2,3-benzotriazin-7-yl]piperidin-4-yl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]pyridine-3-carboxamide?

The IUPAC name of 6-[2-[[1-[3-[1-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-4-oxo-1,2,3-benzotriazin-7-yl]piperidin-4-yl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]pyridine-3-carboxamide (CID 162688841) is 6-[2-[[1-[3-[1-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-4-oxo-1,2,3-benzotriazin-7-yl]piperidin-4-yl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]pyridine-3-carboxamide.

What is the SMILES notation for 6-[2-[[1-[3-[1-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-4-oxo-1,2,3-benzotriazin-7-yl]piperidin-4-yl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]pyridine-3-carboxamide?

The canonical SMILES for 6-[2-[[1-[3-[1-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-4-oxo-1,2,3-benzotriazin-7-yl]piperidin-4-yl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]pyridine-3-carboxamide is CC1(C)C(Oc2ccc(C#N)c(Cl)c2)C(C)(C)C1N1C(=O)CCC(n2nnc3cc(N4CCC(CN5CC6(CCN(c7ccc(C(N)=O)cn7)CC6)C5)CC4)ccc3c2=O)C1=O.

What is the InChIKey of 6-[2-[[1-[3-[1-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-4-oxo-1,2,3-benzotriazin-7-yl]piperidin-4-yl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]pyridine-3-carboxamide?

The InChIKey is UEUARMMIKFRVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H53ClN10O5/c1-44(2)42(45(3,4)43(44)62-32-8-5-29(23-48)34(47)22-32)56-38(58)12-10-36(41(56)61)57-40(60)33-9-7-31(21-35(33)51-52-57)54-17-13-28(14-18-54)25-53-26-46(27-53)15-19-55(20-16-46)37-11-6-30(24-50-37)39(49)59/h5-9,11,21-22,24,28,36,42-43H,10,12-20,25-27H2,1-4H3,(H2,49,59).

What are the key properties of 6-[2-[[1-[3-[1-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-4-oxo-1,2,3-benzotriazin-7-yl]piperidin-4-yl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]pyridine-3-carboxamide?

6-[2-[[1-[3-[1-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-4-oxo-1,2,3-benzotriazin-7-yl]piperidin-4-yl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]pyridine-3-carboxamide has a molecular weight of 861.45 g/mol, XLogP of 5.20, 9 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-[[1-[3-[1-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-2,6-dioxopiperidin-3-yl]-4-oxo-1,2,3-benzotriazin-7-yl]piperidin-4-yl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]pyridine-3-carboxamide is sourced from PubChem (CID 162688841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).