5-chloro-1'-[1-(1-methylindazol-5-yl)oxypropan-2-yl]spiro[1H-indole-3,4'-piperidine]-2-one

C23H25ClN4O2 — CID 168997330

IUPAC5-chloro-1'-[1-(1-methylindazol-5-yl)oxypropan-2-yl]spiro[1H-indole-3,4'-piperidine]-2-one
SMILESCC(COc1ccc2c(cnn2C)c1)N1CCC2(CC1)C(=O)Nc1ccc(Cl)cc12
InChIInChI=1S/C23H25ClN4O2/c1-15(14-30-18-4-6-21-16(11-18)13-25-27(21)2)28-9-7-23(8-10-28)19-12-17(24)3-5-20(19)26-22(23)29/h3-6,11-13,15H,7-10,14H2,1-2H3,(H,26,29)
InChIKeyLIZBGAHVIWDHMV-UHFFFAOYSA-N
MW424.93 g/mol
LogP3.98
Rot. Bonds4

About 5-chloro-1'-[1-(1-methylindazol-5-yl)oxypropan-2-yl]spiro[1H-indole-3,4'-piperidine]-2-one

5-chloro-1'-[1-(1-methylindazol-5-yl)oxypropan-2-yl]spiro[1H-indole-3,4'-piperidine]-2-one (PubChem CID 168997330) has the molecular formula C23H25ClN4O2 and a molecular weight of 424.93 g/mol. Its IUPAC name is 5-chloro-1'-[1-(1-methylindazol-5-yl)oxypropan-2-yl]spiro[1H-indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name5-chloro-1'-[1-(1-methylindazol-5-yl)oxypropan-2-yl]spiro[1H-indole-3,4'-piperidine]-2-one
PubChem CID168997330
Molecular FormulaC23H25ClN4O2
Molecular Weight424.93 g/mol
Exact Mass424.17
IUPAC Name5-chloro-1'-[1-(1-methylindazol-5-yl)oxypropan-2-yl]spiro[1H-indole-3,4'-piperidine]-2-one
SMILESCC(COc1ccc2c(cnn2C)c1)N1CCC2(CC1)C(=O)Nc1ccc(Cl)cc12
InChIInChI=1S/C23H25ClN4O2/c1-15(14-30-18-4-6-21-16(11-18)13-25-27(21)2)28-9-7-23(8-10-28)19-12-17(24)3-5-20(19)26-22(23)29/h3-6,11-13,15H,7-10,14H2,1-2H3,(H,26,29)
InChIKeyLIZBGAHVIWDHMV-UHFFFAOYSA-N
XLogP3.98
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.93
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-1'-[2-[3,5-difluoro-4-(1-fluoroethyl)phenoxy]ethyl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 168997815
1'-[(2S)-1-(3,5-difluoro-4-methylsulfonylphenoxy)propan-2-yl]-2-oxospiro[1H-indole-3,4'-piperidine]-5-carbonitrile
CID 168997149
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-(3-hydroxy-3-methylcyclobutyl)pyrimidin-5-yl]oxyethyl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 168996612
5-chloro-1'-[2-[3-(difluoromethyl)-4-methylsulfonylphenoxy]ethyl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 168997251
5-chloro-1'-[2-[2-(2-hydroxyethyl)pyrimidin-5-yl]oxyethyl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 168997807
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
5-chloro-1'-[2-[(1-methyl-2-methylidene-3,4-dihydroquinolin-6-yl)oxy]ethyl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 170118776
4-[2-(5-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)ethoxy]-2-(difluoromethyl)benzoic acid
CID 168998378
5-chloro-1'-[2-[3-[(1S)-1,2-difluoroethyl]-4-methylsulfonylphenoxy]ethyl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 168998491
5-chloro-1'-[2-[(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-6-yl)oxy]ethyl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 168997481
N-[4-[2-(5-chloro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-yl)ethoxy]phenyl]-N-propylmethanesulfonamide
CID 170118806

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1'-[1-(1-methylindazol-5-yl)oxypropan-2-yl]spiro[1H-indole-3,4'-piperidine]-2-one?
The IUPAC name of 5-chloro-1'-[1-(1-methylindazol-5-yl)oxypropan-2-yl]spiro[1H-indole-3,4'-piperidine]-2-one (CID 168997330) is 5-chloro-1'-[1-(1-methylindazol-5-yl)oxypropan-2-yl]spiro[1H-indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 5-chloro-1'-[1-(1-methylindazol-5-yl)oxypropan-2-yl]spiro[1H-indole-3,4'-piperidine]-2-one?
The canonical SMILES for 5-chloro-1'-[1-(1-methylindazol-5-yl)oxypropan-2-yl]spiro[1H-indole-3,4'-piperidine]-2-one is CC(COc1ccc2c(cnn2C)c1)N1CCC2(CC1)C(=O)Nc1ccc(Cl)cc12.
What is the InChIKey of 5-chloro-1'-[1-(1-methylindazol-5-yl)oxypropan-2-yl]spiro[1H-indole-3,4'-piperidine]-2-one?
The InChIKey is LIZBGAHVIWDHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O2/c1-15(14-30-18-4-6-21-16(11-18)13-25-27(21)2)28-9-7-23(8-10-28)19-12-17(24)3-5-20(19)26-22(23)29/h3-6,11-13,15H,7-10,14H2,1-2H3,(H,26,29).
What are the key properties of 5-chloro-1'-[1-(1-methylindazol-5-yl)oxypropan-2-yl]spiro[1H-indole-3,4'-piperidine]-2-one?
5-chloro-1'-[1-(1-methylindazol-5-yl)oxypropan-2-yl]spiro[1H-indole-3,4'-piperidine]-2-one has a molecular weight of 424.93 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1'-[1-(1-methylindazol-5-yl)oxypropan-2-yl]spiro[1H-indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 168997330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).