(3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]-3'-methyl-5-(3-oxo-1H-indazol-2-yl)spiro[1H-indole-3,2'-oxolane]-2-one

C33H36N4O6Si — CID 23872441

About (3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]-3'-methyl-5-(3-oxo-1H-indazol-2-yl)spiro[1H-indole-3,2'-oxolane]-2-one

(3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]-3'-methyl-5-(3-oxo-1H-indazol-2-yl)spiro[1H-indole-3,2'-oxolane]-2-one (PubChem CID 23872441) has the molecular formula C33H36N4O6Si and a molecular weight of 612.76 g/mol. Its IUPAC name is (3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]-3'-methyl-5-(3-oxo-1H-indazol-2-yl)spiro[1H-indole-3,2'-oxolane]-2-one.

Molecular Properties

• Compound Name: (3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]-3'-methyl-5-(3-oxo-1H-indazol-2-yl)spiro[1H-indole-3,2'-oxolane]-2-one
• PubChem CID: 23872441
• Molecular Formula: C33H36N4O6Si
• Molecular Weight: 612.76 g/mol
• Exact Mass: 612.24
• IUPAC Name: (3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]-3'-methyl-5-(3-oxo-1H-indazol-2-yl)spiro[1H-indole-3,2'-oxolane]-2-one
• SMILES: C[C@H]1[C@H]([Si](C)(C)O)[C@@H](CC(=O)N2Cc3ccccc3C[C@H]2CO)O[C@]12C(=O)Nc1ccc(-n3[nH]c4ccccc4c3=O)cc12
• InChI: InChI=1S/C33H36N4O6Si/c1-19-30(44(2,3)42)28(16-29(39)36-17-21-9-5-4-8-20(21)14-23(36)18-38)43-33(19)25-15-22(12-13-27(25)34-32(33)41)37-31(40)24-10-6-7-11-26(24)35-37/h4-13,15,19,23,28,30,35,38,42H,14,16-18H2,1-3H3,(H,34,41)/t19-,23-,28+,30-,33+/m0/s1
• InChIKey: DBLPFKFKFZJUTI-HUIXMADSSA-N
• XLogP: 3.40
• TPSA: 136.89 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	612.76
LogP ≤ 5	3.40
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het_65_B(7)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]-3'-methyl-5-(3-oxo-1H-indazol-2-yl)spiro[1H-indole-3,2'-oxolane]-2-one?

The IUPAC name of (3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]-3'-methyl-5-(3-oxo-1H-indazol-2-yl)spiro[1H-indole-3,2'-oxolane]-2-one (CID 23872441) is (3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]-3'-methyl-5-(3-oxo-1H-indazol-2-yl)spiro[1H-indole-3,2'-oxolane]-2-one.

What is the SMILES notation for (3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]-3'-methyl-5-(3-oxo-1H-indazol-2-yl)spiro[1H-indole-3,2'-oxolane]-2-one?

The canonical SMILES for (3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]-3'-methyl-5-(3-oxo-1H-indazol-2-yl)spiro[1H-indole-3,2'-oxolane]-2-one is C[C@H]1[C@H]([Si](C)(C)O)[C@@H](CC(=O)N2Cc3ccccc3C[C@H]2CO)O[C@]12C(=O)Nc1ccc(-n3[nH]c4ccccc4c3=O)cc12.

What is the InChIKey of (3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]-3'-methyl-5-(3-oxo-1H-indazol-2-yl)spiro[1H-indole-3,2'-oxolane]-2-one?

The InChIKey is DBLPFKFKFZJUTI-HUIXMADSSA-N. The full InChI is InChI=1S/C33H36N4O6Si/c1-19-30(44(2,3)42)28(16-29(39)36-17-21-9-5-4-8-20(21)14-23(36)18-38)43-33(19)25-15-22(12-13-27(25)34-32(33)41)37-31(40)24-10-6-7-11-26(24)35-37/h4-13,15,19,23,28,30,35,38,42H,14,16-18H2,1-3H3,(H,34,41)/t19-,23-,28+,30-,33+/m0/s1.

What are the key properties of (3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]-3'-methyl-5-(3-oxo-1H-indazol-2-yl)spiro[1H-indole-3,2'-oxolane]-2-one?

(3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]-3'-methyl-5-(3-oxo-1H-indazol-2-yl)spiro[1H-indole-3,2'-oxolane]-2-one has a molecular weight of 612.76 g/mol, XLogP of 3.40, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,3'R,4'S,5'R)-4'-[hydroxy(dimethyl)silyl]-5'-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]-3'-methyl-5-(3-oxo-1H-indazol-2-yl)spiro[1H-indole-3,2'-oxolane]-2-one is sourced from PubChem (CID 23872441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).