1-benzyl-6-propan-2-yl-1'-(trifluoromethylsulfonyl)spiro[indole-3,4'-pyridine]-2-one

C23H21F3N2O3S — CID 102473528

IUPAC1-benzyl-6-propan-2-yl-1'-(trifluoromethylsulfonyl)spiro[indole-3,4'-pyridine]-2-one
SMILESCC(C)c1ccc2c(c1)N(Cc1ccccc1)C(=O)C21C=CN(S(=O)(=O)C(F)(F)F)C=C1
InChIInChI=1S/C23H21F3N2O3S/c1-16(2)18-8-9-19-20(14-18)28(15-17-6-4-3-5-7-17)21(29)22(19)10-12-27(13-11-22)32(30,31)23(24,25)26/h3-14,16H,15H2,1-2H3
InChIKeySYRVVYWHMJWODJ-UHFFFAOYSA-N
MW462.49 g/mol
LogP4.79
Rot. Bonds4

About 1-benzyl-6-propan-2-yl-1'-(trifluoromethylsulfonyl)spiro[indole-3,4'-pyridine]-2-one

1-benzyl-6-propan-2-yl-1'-(trifluoromethylsulfonyl)spiro[indole-3,4'-pyridine]-2-one (PubChem CID 102473528) has the molecular formula C23H21F3N2O3S and a molecular weight of 462.49 g/mol. Its IUPAC name is 1-benzyl-6-propan-2-yl-1'-(trifluoromethylsulfonyl)spiro[indole-3,4'-pyridine]-2-one.

Molecular Properties

Compound Name1-benzyl-6-propan-2-yl-1'-(trifluoromethylsulfonyl)spiro[indole-3,4'-pyridine]-2-one
PubChem CID102473528
Molecular FormulaC23H21F3N2O3S
Molecular Weight462.49 g/mol
Exact Mass462.12
IUPAC Name1-benzyl-6-propan-2-yl-1'-(trifluoromethylsulfonyl)spiro[indole-3,4'-pyridine]-2-one
SMILESCC(C)c1ccc2c(c1)N(Cc1ccccc1)C(=O)C21C=CN(S(=O)(=O)C(F)(F)F)C=C1
InChIInChI=1S/C23H21F3N2O3S/c1-16(2)18-8-9-19-20(14-18)28(15-17-6-4-3-5-7-17)21(29)22(19)10-12-27(13-11-22)32(30,31)23(24,25)26/h3-14,16H,15H2,1-2H3
InChIKeySYRVVYWHMJWODJ-UHFFFAOYSA-N
XLogP4.79
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.49
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-4,6-dimethoxy-1'-(trifluoromethylsulfonyl)spiro[indole-3,4'-pyridine]-2-one
CID 102473525
tert-butyl N-[(S)-[(3S)-1-benzyl-6-chloro-3-fluoro-2-oxoindol-3-yl]-phenylmethyl]carbamate
CID 164670221
1-benzyl-6-methoxy-3,3-dimethylindol-2-one
CID 1201570
(3S)-1-benzyl-3-hydroxy-3-[(2R)-2-hydroxypropyl]indol-2-one
CID 9177438
1-benzyl-5-bromo-3-hydroxy-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]indol-2-one
CID 3883654
methyl (1R,10bS)-6-[(4-methoxyphenyl)methyl]-5-oxo-1-phenyl-9-propan-2-yl-10b-(trifluoromethyl)-1H-pyrrolo[1,2-c]quinazoline-2-carboxylate
CID 71770271
(3R,3'R)-1-benzyl-3'-diethoxyphosphoryl-5-propan-2-ylspiro[indole-3,2'-oxirane]-2-one
CID 102484514
1-benzyl-6-chloro-3-hydroxy-3-(2-methylprop-2-enyl)indol-2-one
CID 162398533
(3S)-1-[(4-chlorophenyl)methyl]-3-hydroxy-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]indol-2-one
CID 1216198
1-benzyl-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]imidazolidine-2,4,5-trione
CID 7820037
1-benzyl-5-bromo-3,3-difluoroindol-2-one
CID 102306574
(3S)-1-benzyl-6-chloro-3-hydroxy-3-[(3R)-1-methyl-2-oxo-5-(trifluoromethyl)-3H-indol-3-yl]indol-2-one
CID 102346099

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-propan-2-yl-1'-(trifluoromethylsulfonyl)spiro[indole-3,4'-pyridine]-2-one?
The IUPAC name of 1-benzyl-6-propan-2-yl-1'-(trifluoromethylsulfonyl)spiro[indole-3,4'-pyridine]-2-one (CID 102473528) is 1-benzyl-6-propan-2-yl-1'-(trifluoromethylsulfonyl)spiro[indole-3,4'-pyridine]-2-one.
What is the SMILES notation for 1-benzyl-6-propan-2-yl-1'-(trifluoromethylsulfonyl)spiro[indole-3,4'-pyridine]-2-one?
The canonical SMILES for 1-benzyl-6-propan-2-yl-1'-(trifluoromethylsulfonyl)spiro[indole-3,4'-pyridine]-2-one is CC(C)c1ccc2c(c1)N(Cc1ccccc1)C(=O)C21C=CN(S(=O)(=O)C(F)(F)F)C=C1.
What is the InChIKey of 1-benzyl-6-propan-2-yl-1'-(trifluoromethylsulfonyl)spiro[indole-3,4'-pyridine]-2-one?
The InChIKey is SYRVVYWHMJWODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N2O3S/c1-16(2)18-8-9-19-20(14-18)28(15-17-6-4-3-5-7-17)21(29)22(19)10-12-27(13-11-22)32(30,31)23(24,25)26/h3-14,16H,15H2,1-2H3.
What are the key properties of 1-benzyl-6-propan-2-yl-1'-(trifluoromethylsulfonyl)spiro[indole-3,4'-pyridine]-2-one?
1-benzyl-6-propan-2-yl-1'-(trifluoromethylsulfonyl)spiro[indole-3,4'-pyridine]-2-one has a molecular weight of 462.49 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-propan-2-yl-1'-(trifluoromethylsulfonyl)spiro[indole-3,4'-pyridine]-2-one is sourced from PubChem (CID 102473528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).