3'-[tert-butyl(dimethyl)silyl]oxy-N-[4-[chloro(difluoro)methoxy]phenyl]-2-oxo-4-(1H-pyrazol-5-yl)spiro[1H-indole-3,1'-cyclopentane]-6-carboxamide

C29H33ClF2N4O4Si — CID 156789585

About 3'-[tert-butyl(dimethyl)silyl]oxy-N-[4-[chloro(difluoro)methoxy]phenyl]-2-oxo-4-(1H-pyrazol-5-yl)spiro[1H-indole-3,1'-cyclopentane]-6-carboxamide

3'-[tert-butyl(dimethyl)silyl]oxy-N-[4-[chloro(difluoro)methoxy]phenyl]-2-oxo-4-(1H-pyrazol-5-yl)spiro[1H-indole-3,1'-cyclopentane]-6-carboxamide (PubChem CID 156789585) has the molecular formula C29H33ClF2N4O4Si and a molecular weight of 603.14 g/mol. Its IUPAC name is 3'-[tert-butyl(dimethyl)silyl]oxy-N-[4-[chloro(difluoro)methoxy]phenyl]-2-oxo-4-(1H-pyrazol-5-yl)spiro[1H-indole-3,1'-cyclopentane]-6-carboxamide.

Molecular Properties

• Compound Name: 3'-[tert-butyl(dimethyl)silyl]oxy-N-[4-[chloro(difluoro)methoxy]phenyl]-2-oxo-4-(1H-pyrazol-5-yl)spiro[1H-indole-3,1'-cyclopentane]-6-carboxamide
• PubChem CID: 156789585
• Molecular Formula: C29H33ClF2N4O4Si
• Molecular Weight: 603.14 g/mol
• Exact Mass: 602.19
• IUPAC Name: 3'-[tert-butyl(dimethyl)silyl]oxy-N-[4-[chloro(difluoro)methoxy]phenyl]-2-oxo-4-(1H-pyrazol-5-yl)spiro[1H-indole-3,1'-cyclopentane]-6-carboxamide
• SMILES: CC(C)(C)[Si](C)(C)OC1CCC2(C1)C(=O)Nc1cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc(-c3ccn[nH]3)c12
• InChI: InChI=1S/C29H33ClF2N4O4Si/c1-27(2,3)41(4,5)40-20-10-12-28(16-20)24-21(22-11-13-33-36-22)14-17(15-23(24)35-26(28)38)25(37)34-18-6-8-19(9-7-18)39-29(30,31)32/h6-9,11,13-15,20H,10,12,16H2,1-5H3,(H,33,36)(H,34,37)(H,35,38)
• InChIKey: IJUANCZETSBVEL-UHFFFAOYSA-N
• XLogP: 7.26
• TPSA: 105.34 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	603.14
LogP ≤ 5	7.26
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3'-[tert-butyl(dimethyl)silyl]oxy-N-[4-[chloro(difluoro)methoxy]phenyl]-2-oxo-4-(1H-pyrazol-5-yl)spiro[1H-indole-3,1'-cyclopentane]-6-carboxamide?

The IUPAC name of 3'-[tert-butyl(dimethyl)silyl]oxy-N-[4-[chloro(difluoro)methoxy]phenyl]-2-oxo-4-(1H-pyrazol-5-yl)spiro[1H-indole-3,1'-cyclopentane]-6-carboxamide (CID 156789585) is 3'-[tert-butyl(dimethyl)silyl]oxy-N-[4-[chloro(difluoro)methoxy]phenyl]-2-oxo-4-(1H-pyrazol-5-yl)spiro[1H-indole-3,1'-cyclopentane]-6-carboxamide.

What is the SMILES notation for 3'-[tert-butyl(dimethyl)silyl]oxy-N-[4-[chloro(difluoro)methoxy]phenyl]-2-oxo-4-(1H-pyrazol-5-yl)spiro[1H-indole-3,1'-cyclopentane]-6-carboxamide?

The canonical SMILES for 3'-[tert-butyl(dimethyl)silyl]oxy-N-[4-[chloro(difluoro)methoxy]phenyl]-2-oxo-4-(1H-pyrazol-5-yl)spiro[1H-indole-3,1'-cyclopentane]-6-carboxamide is CC(C)(C)[Si](C)(C)OC1CCC2(C1)C(=O)Nc1cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc(-c3ccn[nH]3)c12.

What is the InChIKey of 3'-[tert-butyl(dimethyl)silyl]oxy-N-[4-[chloro(difluoro)methoxy]phenyl]-2-oxo-4-(1H-pyrazol-5-yl)spiro[1H-indole-3,1'-cyclopentane]-6-carboxamide?

The InChIKey is IJUANCZETSBVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33ClF2N4O4Si/c1-27(2,3)41(4,5)40-20-10-12-28(16-20)24-21(22-11-13-33-36-22)14-17(15-23(24)35-26(28)38)25(37)34-18-6-8-19(9-7-18)39-29(30,31)32/h6-9,11,13-15,20H,10,12,16H2,1-5H3,(H,33,36)(H,34,37)(H,35,38).

What are the key properties of 3'-[tert-butyl(dimethyl)silyl]oxy-N-[4-[chloro(difluoro)methoxy]phenyl]-2-oxo-4-(1H-pyrazol-5-yl)spiro[1H-indole-3,1'-cyclopentane]-6-carboxamide?

3'-[tert-butyl(dimethyl)silyl]oxy-N-[4-[chloro(difluoro)methoxy]phenyl]-2-oxo-4-(1H-pyrazol-5-yl)spiro[1H-indole-3,1'-cyclopentane]-6-carboxamide has a molecular weight of 603.14 g/mol, XLogP of 7.26, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3'-[tert-butyl(dimethyl)silyl]oxy-N-[4-[chloro(difluoro)methoxy]phenyl]-2-oxo-4-(1H-pyrazol-5-yl)spiro[1H-indole-3,1'-cyclopentane]-6-carboxamide is sourced from PubChem (CID 156789585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).