N-[6-[4-(dimethylamino)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]butanamide

C25H36N4O2Si — CID 22319554

IUPACN-[6-[4-(dimethylamino)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]butanamide
SMILESCCCC(=O)Nc1nn(COCC[Si](C)(C)C)c2cc(-c3ccc(N(C)C)cc3)ccc12
InChIInChI=1S/C25H36N4O2Si/c1-7-8-24(30)26-25-22-14-11-20(19-9-12-21(13-10-19)28(2)3)17-23(22)29(27-25)18-31-15-16-32(4,5)6/h9-14,17H,7-8,15-16,18H2,1-6H3,(H,26,27,30)
InChIKeySYNOGBKCDLRPNZ-UHFFFAOYSA-N
MW452.68 g/mol
LogP5.82
Rot. Bonds10

About N-[6-[4-(dimethylamino)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]butanamide

N-[6-[4-(dimethylamino)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]butanamide (PubChem CID 22319554) has the molecular formula C25H36N4O2Si and a molecular weight of 452.68 g/mol. Its IUPAC name is N-[6-[4-(dimethylamino)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]butanamide.

Molecular Properties

Compound NameN-[6-[4-(dimethylamino)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]butanamide
PubChem CID22319554
Molecular FormulaC25H36N4O2Si
Molecular Weight452.68 g/mol
Exact Mass452.26
IUPAC NameN-[6-[4-(dimethylamino)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]butanamide
SMILESCCCC(=O)Nc1nn(COCC[Si](C)(C)C)c2cc(-c3ccc(N(C)C)cc3)ccc12
InChIInChI=1S/C25H36N4O2Si/c1-7-8-24(30)26-25-22-14-11-20(19-9-12-21(13-10-19)28(2)3)17-23(22)29(27-25)18-31-15-16-32(4,5)6/h9-14,17H,7-8,15-16,18H2,1-6H3,(H,26,27,30)
InChIKeySYNOGBKCDLRPNZ-UHFFFAOYSA-N
XLogP5.82
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.68
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(dimethylamino)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]butanamide?
The IUPAC name of N-[6-[4-(dimethylamino)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]butanamide (CID 22319554) is N-[6-[4-(dimethylamino)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]butanamide.
What is the SMILES notation for N-[6-[4-(dimethylamino)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]butanamide?
The canonical SMILES for N-[6-[4-(dimethylamino)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]butanamide is CCCC(=O)Nc1nn(COCC[Si](C)(C)C)c2cc(-c3ccc(N(C)C)cc3)ccc12.
What is the InChIKey of N-[6-[4-(dimethylamino)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]butanamide?
The InChIKey is SYNOGBKCDLRPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N4O2Si/c1-7-8-24(30)26-25-22-14-11-20(19-9-12-21(13-10-19)28(2)3)17-23(22)29(27-25)18-31-15-16-32(4,5)6/h9-14,17H,7-8,15-16,18H2,1-6H3,(H,26,27,30).
What are the key properties of N-[6-[4-(dimethylamino)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]butanamide?
N-[6-[4-(dimethylamino)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]butanamide has a molecular weight of 452.68 g/mol, XLogP of 5.82, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(dimethylamino)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]butanamide is sourced from PubChem (CID 22319554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).