5-[4-[[7-[4-[[4-[2-(3-chloro-5-cyanophenyl)propan-2-yl]phenoxy]methyl]pyrimidin-2-yl]-2,7-diazaspiro[3.5]nonan-2-yl]methyl]piperidin-1-yl]-N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methylbenzamide

C48H53ClN8O5 — CID 167091460

IUPAC5-[4-[[7-[4-[[4-[2-(3-chloro-5-cyanophenyl)propan-2-yl]phenoxy]methyl]pyrimidin-2-yl]-2,7-diazaspiro[3.5]nonan-2-yl]methyl]piperidin-1-yl]-N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methylbenzamide
SMILESCc1ccc(N2CCC(CN3CC4(CCN(c5nccc(COc6ccc(C(C)(C)c7cc(Cl)cc(C#N)c7)cc6)n5)CC4)C3)CC2)cc1C(=O)N(C=O)C1CCC(=O)NC1=O
InChIInChI=1S/C48H53ClN8O5/c1-32-4-7-39(25-41(32)45(61)57(31-58)42-10-11-43(59)53-44(42)60)55-18-13-33(14-19-55)27-54-29-48(30-54)15-20-56(21-16-48)46-51-17-12-38(52-46)28-62-40-8-5-35(6-9-40)47(2,3)36-22-34(26-50)23-37(49)24-36/h4-9,12,17,22-25,31,33,42H,10-11,13-16,18-21,27-30H2,1-3H3,(H,53,59,60)
InChIKeyPNRZPKNUNMGFBV-UHFFFAOYSA-N
MW857.46 g/mol
LogP6.44
Rot. Bonds12

About 5-[4-[[7-[4-[[4-[2-(3-chloro-5-cyanophenyl)propan-2-yl]phenoxy]methyl]pyrimidin-2-yl]-2,7-diazaspiro[3.5]nonan-2-yl]methyl]piperidin-1-yl]-N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methylbenzamide

5-[4-[[7-[4-[[4-[2-(3-chloro-5-cyanophenyl)propan-2-yl]phenoxy]methyl]pyrimidin-2-yl]-2,7-diazaspiro[3.5]nonan-2-yl]methyl]piperidin-1-yl]-N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methylbenzamide (PubChem CID 167091460) has the molecular formula C48H53ClN8O5 and a molecular weight of 857.46 g/mol. Its IUPAC name is 5-[4-[[7-[4-[[4-[2-(3-chloro-5-cyanophenyl)propan-2-yl]phenoxy]methyl]pyrimidin-2-yl]-2,7-diazaspiro[3.5]nonan-2-yl]methyl]piperidin-1-yl]-N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methylbenzamide.

Molecular Properties

Compound Name5-[4-[[7-[4-[[4-[2-(3-chloro-5-cyanophenyl)propan-2-yl]phenoxy]methyl]pyrimidin-2-yl]-2,7-diazaspiro[3.5]nonan-2-yl]methyl]piperidin-1-yl]-N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methylbenzamide
PubChem CID167091460
Molecular FormulaC48H53ClN8O5
Molecular Weight857.46 g/mol
Exact Mass856.38
IUPAC Name5-[4-[[7-[4-[[4-[2-(3-chloro-5-cyanophenyl)propan-2-yl]phenoxy]methyl]pyrimidin-2-yl]-2,7-diazaspiro[3.5]nonan-2-yl]methyl]piperidin-1-yl]-N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methylbenzamide
SMILESCc1ccc(N2CCC(CN3CC4(CCN(c5nccc(COc6ccc(C(C)(C)c7cc(Cl)cc(C#N)c7)cc6)n5)CC4)C3)CC2)cc1C(=O)N(C=O)C1CCC(=O)NC1=O
InChIInChI=1S/C48H53ClN8O5/c1-32-4-7-39(25-41(32)45(61)57(31-58)42-10-11-43(59)53-44(42)60)55-18-13-33(14-19-55)27-54-29-48(30-54)15-20-56(21-16-48)46-51-17-12-38(52-46)28-62-40-8-5-35(6-9-40)47(2,3)36-22-34(26-50)23-37(49)24-36/h4-9,12,17,22-25,31,33,42H,10-11,13-16,18-21,27-30H2,1-3H3,(H,53,59,60)
InChIKeyPNRZPKNUNMGFBV-UHFFFAOYSA-N
XLogP6.44
TPSA152.07 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms62
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500857.46
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 5-[4-[[7-[4-[[4-[2-(3-chloro-5-cyanophenyl)propan-2-yl]phenoxy]methyl]pyrimidin-2-yl]-2,7-diazaspiro[3.5]nonan-2-yl]methyl]piperidin-1-yl]-N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methylbenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[[7-[4-[[4-[2-(3-chloro-5-cyanophenyl)propan-2-yl]phenoxy]methyl]pyrimidin-2-yl]-2,7-diazaspiro[3.5]nonan-2-yl]methyl]piperidin-1-yl]-N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methylbenzamide?
The IUPAC name of 5-[4-[[7-[4-[[4-[2-(3-chloro-5-cyanophenyl)propan-2-yl]phenoxy]methyl]pyrimidin-2-yl]-2,7-diazaspiro[3.5]nonan-2-yl]methyl]piperidin-1-yl]-N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methylbenzamide (CID 167091460) is 5-[4-[[7-[4-[[4-[2-(3-chloro-5-cyanophenyl)propan-2-yl]phenoxy]methyl]pyrimidin-2-yl]-2,7-diazaspiro[3.5]nonan-2-yl]methyl]piperidin-1-yl]-N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methylbenzamide.
What is the SMILES notation for 5-[4-[[7-[4-[[4-[2-(3-chloro-5-cyanophenyl)propan-2-yl]phenoxy]methyl]pyrimidin-2-yl]-2,7-diazaspiro[3.5]nonan-2-yl]methyl]piperidin-1-yl]-N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methylbenzamide?
The canonical SMILES for 5-[4-[[7-[4-[[4-[2-(3-chloro-5-cyanophenyl)propan-2-yl]phenoxy]methyl]pyrimidin-2-yl]-2,7-diazaspiro[3.5]nonan-2-yl]methyl]piperidin-1-yl]-N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methylbenzamide is Cc1ccc(N2CCC(CN3CC4(CCN(c5nccc(COc6ccc(C(C)(C)c7cc(Cl)cc(C#N)c7)cc6)n5)CC4)C3)CC2)cc1C(=O)N(C=O)C1CCC(=O)NC1=O.
What is the InChIKey of 5-[4-[[7-[4-[[4-[2-(3-chloro-5-cyanophenyl)propan-2-yl]phenoxy]methyl]pyrimidin-2-yl]-2,7-diazaspiro[3.5]nonan-2-yl]methyl]piperidin-1-yl]-N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methylbenzamide?
The InChIKey is PNRZPKNUNMGFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H53ClN8O5/c1-32-4-7-39(25-41(32)45(61)57(31-58)42-10-11-43(59)53-44(42)60)55-18-13-33(14-19-55)27-54-29-48(30-54)15-20-56(21-16-48)46-51-17-12-38(52-46)28-62-40-8-5-35(6-9-40)47(2,3)36-22-34(26-50)23-37(49)24-36/h4-9,12,17,22-25,31,33,42H,10-11,13-16,18-21,27-30H2,1-3H3,(H,53,59,60).
What are the key properties of 5-[4-[[7-[4-[[4-[2-(3-chloro-5-cyanophenyl)propan-2-yl]phenoxy]methyl]pyrimidin-2-yl]-2,7-diazaspiro[3.5]nonan-2-yl]methyl]piperidin-1-yl]-N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methylbenzamide?
5-[4-[[7-[4-[[4-[2-(3-chloro-5-cyanophenyl)propan-2-yl]phenoxy]methyl]pyrimidin-2-yl]-2,7-diazaspiro[3.5]nonan-2-yl]methyl]piperidin-1-yl]-N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methylbenzamide has a molecular weight of 857.46 g/mol, XLogP of 6.44, 12 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[[7-[4-[[4-[2-(3-chloro-5-cyanophenyl)propan-2-yl]phenoxy]methyl]pyrimidin-2-yl]-2,7-diazaspiro[3.5]nonan-2-yl]methyl]piperidin-1-yl]-N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methylbenzamide is sourced from PubChem (CID 167091460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).