N-[1-[1-(4-chlorophenyl)-1-(2-cyanocyclopropyl)propyl]indazol-4-yl]-N-(2-trimethylsilylethoxymethyl)methanesulfonamide

C27H35ClN4O3SSi — CID 70563960

IUPACN-[1-[1-(4-chlorophenyl)-1-(2-cyanocyclopropyl)propyl]indazol-4-yl]-N-(2-trimethylsilylethoxymethyl)methanesulfonamide
SMILESCCC(c1ccc(Cl)cc1)(C1CC1C#N)n1ncc2c(N(COCC[Si](C)(C)C)S(C)(=O)=O)cccc21
InChIInChI=1S/C27H35ClN4O3SSi/c1-6-27(24-16-20(24)17-29,21-10-12-22(28)13-11-21)32-26-9-7-8-25(23(26)18-30-32)31(36(2,33)34)19-35-14-15-37(3,4)5/h7-13,18,20,24H,6,14-16,19H2,1-5H3
InChIKeyLYIVOOTZUFBPNE-UHFFFAOYSA-N
MW559.21 g/mol
LogP6.08
Rot. Bonds11

About N-[1-[1-(4-chlorophenyl)-1-(2-cyanocyclopropyl)propyl]indazol-4-yl]-N-(2-trimethylsilylethoxymethyl)methanesulfonamide

N-[1-[1-(4-chlorophenyl)-1-(2-cyanocyclopropyl)propyl]indazol-4-yl]-N-(2-trimethylsilylethoxymethyl)methanesulfonamide (PubChem CID 70563960) has the molecular formula C27H35ClN4O3SSi and a molecular weight of 559.21 g/mol. Its IUPAC name is N-[1-[1-(4-chlorophenyl)-1-(2-cyanocyclopropyl)propyl]indazol-4-yl]-N-(2-trimethylsilylethoxymethyl)methanesulfonamide.

Molecular Properties

Compound NameN-[1-[1-(4-chlorophenyl)-1-(2-cyanocyclopropyl)propyl]indazol-4-yl]-N-(2-trimethylsilylethoxymethyl)methanesulfonamide
PubChem CID70563960
Molecular FormulaC27H35ClN4O3SSi
Molecular Weight559.21 g/mol
Exact Mass558.19
IUPAC NameN-[1-[1-(4-chlorophenyl)-1-(2-cyanocyclopropyl)propyl]indazol-4-yl]-N-(2-trimethylsilylethoxymethyl)methanesulfonamide
SMILESCCC(c1ccc(Cl)cc1)(C1CC1C#N)n1ncc2c(N(COCC[Si](C)(C)C)S(C)(=O)=O)cccc21
InChIInChI=1S/C27H35ClN4O3SSi/c1-6-27(24-16-20(24)17-29,21-10-12-22(28)13-11-21)32-26-9-7-8-25(23(26)18-30-32)31(36(2,33)34)19-35-14-15-37(3,4)5/h7-13,18,20,24H,6,14-16,19H2,1-5H3
InChIKeyLYIVOOTZUFBPNE-UHFFFAOYSA-N
XLogP6.08
TPSA88.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.21
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-[1-[1-(4-chlorophenyl)-1-(2-cyanocyclopropyl)propyl]indazol-4-yl]-N-(2-trimethylsilylethoxymethyl)methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(4-chlorophenyl)-1-(2-cyanocyclopropyl)propyl]indazol-4-yl]-N-(2-trimethylsilylethoxymethyl)methanesulfonamide?
The IUPAC name of N-[1-[1-(4-chlorophenyl)-1-(2-cyanocyclopropyl)propyl]indazol-4-yl]-N-(2-trimethylsilylethoxymethyl)methanesulfonamide (CID 70563960) is N-[1-[1-(4-chlorophenyl)-1-(2-cyanocyclopropyl)propyl]indazol-4-yl]-N-(2-trimethylsilylethoxymethyl)methanesulfonamide.
What is the SMILES notation for N-[1-[1-(4-chlorophenyl)-1-(2-cyanocyclopropyl)propyl]indazol-4-yl]-N-(2-trimethylsilylethoxymethyl)methanesulfonamide?
The canonical SMILES for N-[1-[1-(4-chlorophenyl)-1-(2-cyanocyclopropyl)propyl]indazol-4-yl]-N-(2-trimethylsilylethoxymethyl)methanesulfonamide is CCC(c1ccc(Cl)cc1)(C1CC1C#N)n1ncc2c(N(COCC[Si](C)(C)C)S(C)(=O)=O)cccc21.
What is the InChIKey of N-[1-[1-(4-chlorophenyl)-1-(2-cyanocyclopropyl)propyl]indazol-4-yl]-N-(2-trimethylsilylethoxymethyl)methanesulfonamide?
The InChIKey is LYIVOOTZUFBPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35ClN4O3SSi/c1-6-27(24-16-20(24)17-29,21-10-12-22(28)13-11-21)32-26-9-7-8-25(23(26)18-30-32)31(36(2,33)34)19-35-14-15-37(3,4)5/h7-13,18,20,24H,6,14-16,19H2,1-5H3.
What are the key properties of N-[1-[1-(4-chlorophenyl)-1-(2-cyanocyclopropyl)propyl]indazol-4-yl]-N-(2-trimethylsilylethoxymethyl)methanesulfonamide?
N-[1-[1-(4-chlorophenyl)-1-(2-cyanocyclopropyl)propyl]indazol-4-yl]-N-(2-trimethylsilylethoxymethyl)methanesulfonamide has a molecular weight of 559.21 g/mol, XLogP of 6.08, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(4-chlorophenyl)-1-(2-cyanocyclopropyl)propyl]indazol-4-yl]-N-(2-trimethylsilylethoxymethyl)methanesulfonamide is sourced from PubChem (CID 70563960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).