N-[1-(2-fluorophenyl)imidazol-4-yl]-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide

C23H24FN5O3S — CID 45481803

IUPACN-[1-(2-fluorophenyl)imidazol-4-yl]-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide
SMILESCS(=O)(=O)N1CC2(CCN(C(=O)Nc3cn(-c4ccccc4F)cn3)CC2)c2ccccc21
InChIInChI=1S/C23H24FN5O3S/c1-33(31,32)29-15-23(17-6-2-4-8-19(17)29)10-12-27(13-11-23)22(30)26-21-14-28(16-25-21)20-9-5-3-7-18(20)24/h2-9,14,16H,10-13,15H2,1H3,(H,26,30)
InChIKeyZESLUYMEFDBGII-UHFFFAOYSA-N
MW469.54 g/mol
LogP3.36
Rot. Bonds3

About N-[1-(2-fluorophenyl)imidazol-4-yl]-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide

N-[1-(2-fluorophenyl)imidazol-4-yl]-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide (PubChem CID 45481803) has the molecular formula C23H24FN5O3S and a molecular weight of 469.54 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)imidazol-4-yl]-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)imidazol-4-yl]-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide
PubChem CID45481803
Molecular FormulaC23H24FN5O3S
Molecular Weight469.54 g/mol
Exact Mass469.16
IUPAC NameN-[1-(2-fluorophenyl)imidazol-4-yl]-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide
SMILESCS(=O)(=O)N1CC2(CCN(C(=O)Nc3cn(-c4ccccc4F)cn3)CC2)c2ccccc21
InChIInChI=1S/C23H24FN5O3S/c1-33(31,32)29-15-23(17-6-2-4-8-19(17)29)10-12-27(13-11-23)22(30)26-21-14-28(16-25-21)20-9-5-3-7-18(20)24/h2-9,14,16H,10-13,15H2,1H3,(H,26,30)
InChIKeyZESLUYMEFDBGII-UHFFFAOYSA-N
XLogP3.36
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.54
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)imidazol-4-yl]-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide?
The IUPAC name of N-[1-(2-fluorophenyl)imidazol-4-yl]-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide (CID 45481803) is N-[1-(2-fluorophenyl)imidazol-4-yl]-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for N-[1-(2-fluorophenyl)imidazol-4-yl]-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide?
The canonical SMILES for N-[1-(2-fluorophenyl)imidazol-4-yl]-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide is CS(=O)(=O)N1CC2(CCN(C(=O)Nc3cn(-c4ccccc4F)cn3)CC2)c2ccccc21.
What is the InChIKey of N-[1-(2-fluorophenyl)imidazol-4-yl]-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide?
The InChIKey is ZESLUYMEFDBGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O3S/c1-33(31,32)29-15-23(17-6-2-4-8-19(17)29)10-12-27(13-11-23)22(30)26-21-14-28(16-25-21)20-9-5-3-7-18(20)24/h2-9,14,16H,10-13,15H2,1H3,(H,26,30).
What are the key properties of N-[1-(2-fluorophenyl)imidazol-4-yl]-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide?
N-[1-(2-fluorophenyl)imidazol-4-yl]-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide has a molecular weight of 469.54 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)imidazol-4-yl]-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 45481803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).