N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-[(3R)-3-[[2-[3-(2,6-dioxopiperidin-3-yl)-4-oxo-1,2,3-benzotriazin-7-yl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]pyrrolidin-1-yl]pyridine-3-carboxamide

C43H47ClN10O5 — CID 174166587

About N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-[(3R)-3-[[2-[3-(2,6-dioxopiperidin-3-yl)-4-oxo-1,2,3-benzotriazin-7-yl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]pyrrolidin-1-yl]pyridine-3-carboxamide

N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-[(3R)-3-[[2-[3-(2,6-dioxopiperidin-3-yl)-4-oxo-1,2,3-benzotriazin-7-yl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]pyrrolidin-1-yl]pyridine-3-carboxamide (PubChem CID 174166587) has the molecular formula C43H47ClN10O5 and a molecular weight of 819.37 g/mol. Its IUPAC name is N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-[(3R)-3-[[2-[3-(2,6-dioxopiperidin-3-yl)-4-oxo-1,2,3-benzotriazin-7-yl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]pyrrolidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-[(3R)-3-[[2-[3-(2,6-dioxopiperidin-3-yl)-4-oxo-1,2,3-benzotriazin-7-yl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]pyrrolidin-1-yl]pyridine-3-carboxamide
• PubChem CID: 174166587
• Molecular Formula: C43H47ClN10O5
• Molecular Weight: 819.37 g/mol
• Exact Mass: 818.34
• IUPAC Name: N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-[(3R)-3-[[2-[3-(2,6-dioxopiperidin-3-yl)-4-oxo-1,2,3-benzotriazin-7-yl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]pyrrolidin-1-yl]pyridine-3-carboxamide
• SMILES: CC1(C)C(NC(=O)c2ccc(N3CC[C@H](CN4CC5(C4)CN(c4ccc6c(=O)n(C7CCC(=O)NC7=O)nnc6c4)C5)C3)nc2)C(C)(C)C1Oc1ccc(C#N)c(Cl)c1
• InChI: InChI=1S/C43H47ClN10O5/c1-41(2)39(42(3,4)40(41)59-29-8-5-26(17-45)31(44)16-29)48-36(56)27-6-11-34(46-18-27)52-14-13-25(20-52)19-51-21-43(22-51)23-53(24-43)28-7-9-30-32(15-28)49-50-54(38(30)58)33-10-12-35(55)47-37(33)57/h5-9,11,15-16,18,25,33,39-40H,10,12-14,19-24H2,1-4H3,(H,48,56)(H,47,55,57)/t25-,33?,39?,40?/m1/s1
• InChIKey: ZJBWJJSLMSLLMP-QBHHSQIKSA-N
• XLogP: 3.95
• TPSA: 178.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 9
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	819.37
LogP ≤ 5	3.95
H-Bond Donors ≤ 5	2
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 N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-[(3R)-3-[[2-[3-(2,6-dioxopiperidin-3-yl)-4-oxo-1,2,3-benzotriazin-7-yl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]pyrrolidin-1-yl]pyridine-3-carboxamide?

The IUPAC name of N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-[(3R)-3-[[2-[3-(2,6-dioxopiperidin-3-yl)-4-oxo-1,2,3-benzotriazin-7-yl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]pyrrolidin-1-yl]pyridine-3-carboxamide (CID 174166587) is N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-[(3R)-3-[[2-[3-(2,6-dioxopiperidin-3-yl)-4-oxo-1,2,3-benzotriazin-7-yl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]pyrrolidin-1-yl]pyridine-3-carboxamide.

What is the SMILES notation for N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-[(3R)-3-[[2-[3-(2,6-dioxopiperidin-3-yl)-4-oxo-1,2,3-benzotriazin-7-yl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]pyrrolidin-1-yl]pyridine-3-carboxamide?

The canonical SMILES for N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-[(3R)-3-[[2-[3-(2,6-dioxopiperidin-3-yl)-4-oxo-1,2,3-benzotriazin-7-yl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]pyrrolidin-1-yl]pyridine-3-carboxamide is CC1(C)C(NC(=O)c2ccc(N3CC[C@H](CN4CC5(C4)CN(c4ccc6c(=O)n(C7CCC(=O)NC7=O)nnc6c4)C5)C3)nc2)C(C)(C)C1Oc1ccc(C#N)c(Cl)c1.

What is the InChIKey of N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-[(3R)-3-[[2-[3-(2,6-dioxopiperidin-3-yl)-4-oxo-1,2,3-benzotriazin-7-yl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]pyrrolidin-1-yl]pyridine-3-carboxamide?

The InChIKey is ZJBWJJSLMSLLMP-QBHHSQIKSA-N. The full InChI is InChI=1S/C43H47ClN10O5/c1-41(2)39(42(3,4)40(41)59-29-8-5-26(17-45)31(44)16-29)48-36(56)27-6-11-34(46-18-27)52-14-13-25(20-52)19-51-21-43(22-51)23-53(24-43)28-7-9-30-32(15-28)49-50-54(38(30)58)33-10-12-35(55)47-37(33)57/h5-9,11,15-16,18,25,33,39-40H,10,12-14,19-24H2,1-4H3,(H,48,56)(H,47,55,57)/t25-,33?,39?,40?/m1/s1.

What are the key properties of N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-[(3R)-3-[[2-[3-(2,6-dioxopiperidin-3-yl)-4-oxo-1,2,3-benzotriazin-7-yl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]pyrrolidin-1-yl]pyridine-3-carboxamide?

N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-[(3R)-3-[[2-[3-(2,6-dioxopiperidin-3-yl)-4-oxo-1,2,3-benzotriazin-7-yl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]pyrrolidin-1-yl]pyridine-3-carboxamide has a molecular weight of 819.37 g/mol, XLogP of 3.95, 9 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-[(3R)-3-[[2-[3-(2,6-dioxopiperidin-3-yl)-4-oxo-1,2,3-benzotriazin-7-yl]-2,6-diazaspiro[3.3]heptan-6-yl]methyl]pyrrolidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 174166587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).