5-chloro-1'-[2-[[5-methyl-6-(2-methylsulfinylbutan-2-yl)-3-pyridinyl]oxy]ethyl]spiro[1H-indole-3,4'-piperidine]-2-one

C25H32ClN3O3S — CID 168997530

IUPAC5-chloro-1'-[2-[[5-methyl-6-(2-methylsulfinylbutan-2-yl)-3-pyridinyl]oxy]ethyl]spiro[1H-indole-3,4'-piperidine]-2-one
SMILESCCC(C)(c1ncc(OCCN2CCC3(CC2)C(=O)Nc2ccc(Cl)cc23)cc1C)S(C)=O
InChIInChI=1S/C25H32ClN3O3S/c1-5-24(3,33(4)31)22-17(2)14-19(16-27-22)32-13-12-29-10-8-25(9-11-29)20-15-18(26)6-7-21(20)28-23(25)30/h6-7,14-16H,5,8-13H2,1-4H3,(H,28,30)
InChIKeyLNXASYDZEPVCTA-UHFFFAOYSA-N
MW490.07 g/mol
LogP4.41
Rot. Bonds7

About 5-chloro-1'-[2-[[5-methyl-6-(2-methylsulfinylbutan-2-yl)-3-pyridinyl]oxy]ethyl]spiro[1H-indole-3,4'-piperidine]-2-one

5-chloro-1'-[2-[[5-methyl-6-(2-methylsulfinylbutan-2-yl)-3-pyridinyl]oxy]ethyl]spiro[1H-indole-3,4'-piperidine]-2-one (PubChem CID 168997530) has the molecular formula C25H32ClN3O3S and a molecular weight of 490.07 g/mol. Its IUPAC name is 5-chloro-1'-[2-[[5-methyl-6-(2-methylsulfinylbutan-2-yl)-3-pyridinyl]oxy]ethyl]spiro[1H-indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name5-chloro-1'-[2-[[5-methyl-6-(2-methylsulfinylbutan-2-yl)-3-pyridinyl]oxy]ethyl]spiro[1H-indole-3,4'-piperidine]-2-one
PubChem CID168997530
Molecular FormulaC25H32ClN3O3S
Molecular Weight490.07 g/mol
Exact Mass489.19
IUPAC Name5-chloro-1'-[2-[[5-methyl-6-(2-methylsulfinylbutan-2-yl)-3-pyridinyl]oxy]ethyl]spiro[1H-indole-3,4'-piperidine]-2-one
SMILESCCC(C)(c1ncc(OCCN2CCC3(CC2)C(=O)Nc2ccc(Cl)cc23)cc1C)S(C)=O
InChIInChI=1S/C25H32ClN3O3S/c1-5-24(3,33(4)31)22-17(2)14-19(16-27-22)32-13-12-29-10-8-25(9-11-29)20-15-18(26)6-7-21(20)28-23(25)30/h6-7,14-16H,5,8-13H2,1-4H3,(H,28,30)
InChIKeyLNXASYDZEPVCTA-UHFFFAOYSA-N
XLogP4.41
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.07
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-1'-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]oxyethyl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 168996371
5-chloro-1'-[2-[2-(2-hydroxyethyl)pyrimidin-5-yl]oxyethyl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 168997807
N-[5-[2-(5-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)ethoxy]-2-methyl-3-pyridinyl]butanamide
CID 168997309
5-chloro-1'-[2-[2-(2-methylsulfonylbut-3-en-2-yl)pyrimidin-5-yl]oxyethyl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 170064712
N-[5-[2-(5-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)ethoxy]-2-methyl-3-pyridinyl]butanamide;ethane
CID 168997499
5-chloro-1'-[2-[2-(3-hydroxy-3-methylcyclobutyl)pyrimidin-5-yl]oxyethyl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 168996612
5-chloro-1'-[2-[3,5-difluoro-4-(1-fluoroethyl)phenoxy]ethyl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 168997815
butane;N-[5-[2-(5-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)ethoxy]-2-methylphenyl]acetamide
CID 168997734
5-chloro-1'-[2-[3-(3-hydroxy-3-methylcyclobutyl)-2-methylimidazo[4,5-b]pyridin-6-yl]oxyethyl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 168997067
5-chloro-1'-[2-[[5-[(Z)-3-methylpent-1-enyl]-6-(3-methylpent-1-en-2-yl)-3-pyridinyl]oxy]ethyl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 168996973
5-chloro-1'-[2-[4-(3-hydroxy-3-methylcyclobutyl)-3-oxopyrido[2,3-b]pyrazin-7-yl]oxyethyl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 168997390
5-chloro-1'-[2-[3-(difluoromethyl)-4-methylsulfonylphenoxy]ethyl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 168997251

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1'-[2-[[5-methyl-6-(2-methylsulfinylbutan-2-yl)-3-pyridinyl]oxy]ethyl]spiro[1H-indole-3,4'-piperidine]-2-one?
The IUPAC name of 5-chloro-1'-[2-[[5-methyl-6-(2-methylsulfinylbutan-2-yl)-3-pyridinyl]oxy]ethyl]spiro[1H-indole-3,4'-piperidine]-2-one (CID 168997530) is 5-chloro-1'-[2-[[5-methyl-6-(2-methylsulfinylbutan-2-yl)-3-pyridinyl]oxy]ethyl]spiro[1H-indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 5-chloro-1'-[2-[[5-methyl-6-(2-methylsulfinylbutan-2-yl)-3-pyridinyl]oxy]ethyl]spiro[1H-indole-3,4'-piperidine]-2-one?
The canonical SMILES for 5-chloro-1'-[2-[[5-methyl-6-(2-methylsulfinylbutan-2-yl)-3-pyridinyl]oxy]ethyl]spiro[1H-indole-3,4'-piperidine]-2-one is CCC(C)(c1ncc(OCCN2CCC3(CC2)C(=O)Nc2ccc(Cl)cc23)cc1C)S(C)=O.
What is the InChIKey of 5-chloro-1'-[2-[[5-methyl-6-(2-methylsulfinylbutan-2-yl)-3-pyridinyl]oxy]ethyl]spiro[1H-indole-3,4'-piperidine]-2-one?
The InChIKey is LNXASYDZEPVCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32ClN3O3S/c1-5-24(3,33(4)31)22-17(2)14-19(16-27-22)32-13-12-29-10-8-25(9-11-29)20-15-18(26)6-7-21(20)28-23(25)30/h6-7,14-16H,5,8-13H2,1-4H3,(H,28,30).
What are the key properties of 5-chloro-1'-[2-[[5-methyl-6-(2-methylsulfinylbutan-2-yl)-3-pyridinyl]oxy]ethyl]spiro[1H-indole-3,4'-piperidine]-2-one?
5-chloro-1'-[2-[[5-methyl-6-(2-methylsulfinylbutan-2-yl)-3-pyridinyl]oxy]ethyl]spiro[1H-indole-3,4'-piperidine]-2-one has a molecular weight of 490.07 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1'-[2-[[5-methyl-6-(2-methylsulfinylbutan-2-yl)-3-pyridinyl]oxy]ethyl]spiro[1H-indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 168997530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).