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

C44H49ClN10O5 — CID 162767846

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

6-[4-[[7-[3-[1-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-2,6-dioxopiperidin-3-yl]-4-oxo-1,2,3-benzotriazin-6-yl]-2,7-diazaspiro[3.5]nonan-2-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide (PubChem CID 162767846) has the molecular formula C44H49ClN10O5 and a molecular weight of 833.39 g/mol. Its IUPAC name is 6-[4-[[7-[3-[1-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-2,6-dioxopiperidin-3-yl]-4-oxo-1,2,3-benzotriazin-6-yl]-2,7-diazaspiro[3.5]nonan-2-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[4-[[7-[3-[1-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-2,6-dioxopiperidin-3-yl]-4-oxo-1,2,3-benzotriazin-6-yl]-2,7-diazaspiro[3.5]nonan-2-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide
• PubChem CID: 162767846
• Molecular Formula: C44H49ClN10O5
• Molecular Weight: 833.39 g/mol
• Exact Mass: 832.36
• IUPAC Name: 6-[4-[[7-[3-[1-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-2,6-dioxopiperidin-3-yl]-4-oxo-1,2,3-benzotriazin-6-yl]-2,7-diazaspiro[3.5]nonan-2-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide
• SMILES: N#Cc1ccc(OC2CCC(N3C(=O)CCC(n4nnc5ccc(N6CCC7(CC6)CN(CC6CCN(c8ccc(C(N)=O)cn8)CC6)C7)cc5c4=O)C3=O)CC2)cc1Cl
• InChI: InChI=1S/C44H49ClN10O5/c45-36-22-34(6-1-29(36)23-46)60-33-7-3-31(4-8-33)54-40(56)12-10-38(43(54)59)55-42(58)35-21-32(5-9-37(35)49-50-55)52-19-15-44(16-20-52)26-51(27-44)25-28-13-17-53(18-14-28)39-11-2-30(24-48-39)41(47)57/h1-2,5-6,9,11,21-22,24,28,31,33,38H,3-4,7-8,10,12-20,25-27H2,(H2,47,57)
• InChIKey: VMSGQWQQQQHQCZ-UHFFFAOYSA-N
• XLogP: 4.71
• TPSA: 183.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 9
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	833.39
LogP ≤ 5	4.71
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-[4-[[7-[3-[1-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-2,6-dioxopiperidin-3-yl]-4-oxo-1,2,3-benzotriazin-6-yl]-2,7-diazaspiro[3.5]nonan-2-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide?

The IUPAC name of 6-[4-[[7-[3-[1-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-2,6-dioxopiperidin-3-yl]-4-oxo-1,2,3-benzotriazin-6-yl]-2,7-diazaspiro[3.5]nonan-2-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide (CID 162767846) is 6-[4-[[7-[3-[1-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-2,6-dioxopiperidin-3-yl]-4-oxo-1,2,3-benzotriazin-6-yl]-2,7-diazaspiro[3.5]nonan-2-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide.

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

The canonical SMILES for 6-[4-[[7-[3-[1-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-2,6-dioxopiperidin-3-yl]-4-oxo-1,2,3-benzotriazin-6-yl]-2,7-diazaspiro[3.5]nonan-2-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide is N#Cc1ccc(OC2CCC(N3C(=O)CCC(n4nnc5ccc(N6CCC7(CC6)CN(CC6CCN(c8ccc(C(N)=O)cn8)CC6)C7)cc5c4=O)C3=O)CC2)cc1Cl.

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

The InChIKey is VMSGQWQQQQHQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H49ClN10O5/c45-36-22-34(6-1-29(36)23-46)60-33-7-3-31(4-8-33)54-40(56)12-10-38(43(54)59)55-42(58)35-21-32(5-9-37(35)49-50-55)52-19-15-44(16-20-52)26-51(27-44)25-28-13-17-53(18-14-28)39-11-2-30(24-48-39)41(47)57/h1-2,5-6,9,11,21-22,24,28,31,33,38H,3-4,7-8,10,12-20,25-27H2,(H2,47,57).

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

6-[4-[[7-[3-[1-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-2,6-dioxopiperidin-3-yl]-4-oxo-1,2,3-benzotriazin-6-yl]-2,7-diazaspiro[3.5]nonan-2-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide has a molecular weight of 833.39 g/mol, XLogP of 4.71, 9 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[[7-[3-[1-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-2,6-dioxopiperidin-3-yl]-4-oxo-1,2,3-benzotriazin-6-yl]-2,7-diazaspiro[3.5]nonan-2-yl]methyl]piperidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 162767846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).