4-[4-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]phenyl]pyridine-2-carboxamide

C31H35N5O6Si — CID 59216656

IUPAC4-[4-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]phenyl]pyridine-2-carboxamide
SMILESCOc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4ccnc(C(N)=O)c4)cc3)NC(=O)N(COCC[Si](C)(C)C)C1=O)C2
InChIInChI=1S/C31H35N5O6Si/c1-41-24-10-7-22-17-35(28(38)25(22)16-24)18-31(29(39)36(30(40)34-31)19-42-13-14-43(2,3)4)23-8-5-20(6-9-23)21-11-12-33-26(15-21)27(32)37/h5-12,15-16H,13-14,17-19H2,1-4H3,(H2,32,37)(H,34,40)/t31-/m0/s1
InChIKeyCCFCUNZESRJOES-HKBQPEDESA-N
MW601.74 g/mol
LogP3.57
Rot. Bonds11

About 4-[4-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]phenyl]pyridine-2-carboxamide

4-[4-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]phenyl]pyridine-2-carboxamide (PubChem CID 59216656) has the molecular formula C31H35N5O6Si and a molecular weight of 601.74 g/mol. Its IUPAC name is 4-[4-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[4-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]phenyl]pyridine-2-carboxamide
PubChem CID59216656
Molecular FormulaC31H35N5O6Si
Molecular Weight601.74 g/mol
Exact Mass601.24
IUPAC Name4-[4-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]phenyl]pyridine-2-carboxamide
SMILESCOc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4ccnc(C(N)=O)c4)cc3)NC(=O)N(COCC[Si](C)(C)C)C1=O)C2
InChIInChI=1S/C31H35N5O6Si/c1-41-24-10-7-22-17-35(28(38)25(22)16-24)18-31(29(39)36(30(40)34-31)19-42-13-14-43(2,3)4)23-8-5-20(6-9-23)21-11-12-33-26(15-21)27(32)37/h5-12,15-16H,13-14,17-19H2,1-4H3,(H2,32,37)(H,34,40)/t31-/m0/s1
InChIKeyCCFCUNZESRJOES-HKBQPEDESA-N
XLogP3.57
TPSA144.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500601.74
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]phenyl]pyridine-2-carboxamide?
The IUPAC name of 4-[4-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]phenyl]pyridine-2-carboxamide (CID 59216656) is 4-[4-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-[4-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]phenyl]pyridine-2-carboxamide?
The canonical SMILES for 4-[4-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]phenyl]pyridine-2-carboxamide is COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4ccnc(C(N)=O)c4)cc3)NC(=O)N(COCC[Si](C)(C)C)C1=O)C2.
What is the InChIKey of 4-[4-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]phenyl]pyridine-2-carboxamide?
The InChIKey is CCFCUNZESRJOES-HKBQPEDESA-N. The full InChI is InChI=1S/C31H35N5O6Si/c1-41-24-10-7-22-17-35(28(38)25(22)16-24)18-31(29(39)36(30(40)34-31)19-42-13-14-43(2,3)4)23-8-5-20(6-9-23)21-11-12-33-26(15-21)27(32)37/h5-12,15-16H,13-14,17-19H2,1-4H3,(H2,32,37)(H,34,40)/t31-/m0/s1.
What are the key properties of 4-[4-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]phenyl]pyridine-2-carboxamide?
4-[4-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]phenyl]pyridine-2-carboxamide has a molecular weight of 601.74 g/mol, XLogP of 3.57, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(4R)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 59216656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).