1'-(1,3,5-trimethylpyrazol-4-yl)sulfonylspiro[1H-indole-3,3'-piperidine]-2-one

C18H22N4O3S — CID 56904006

IUPAC1'-(1,3,5-trimethylpyrazol-4-yl)sulfonylspiro[1H-indole-3,3'-piperidine]-2-one
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CCCC2(C1)C(=O)Nc1ccccc12
InChIInChI=1S/C18H22N4O3S/c1-12-16(13(2)21(3)20-12)26(24,25)22-10-6-9-18(11-22)14-7-4-5-8-15(14)19-17(18)23/h4-5,7-8H,6,9-11H2,1-3H3,(H,19,23)
InChIKeyLFGGNLNTGOOKAV-UHFFFAOYSA-N
MW374.47 g/mol
LogP1.71
Rot. Bonds2

About 1'-(1,3,5-trimethylpyrazol-4-yl)sulfonylspiro[1H-indole-3,3'-piperidine]-2-one

1'-(1,3,5-trimethylpyrazol-4-yl)sulfonylspiro[1H-indole-3,3'-piperidine]-2-one (PubChem CID 56904006) has the molecular formula C18H22N4O3S and a molecular weight of 374.47 g/mol. Its IUPAC name is 1'-(1,3,5-trimethylpyrazol-4-yl)sulfonylspiro[1H-indole-3,3'-piperidine]-2-one.

Molecular Properties

Compound Name1'-(1,3,5-trimethylpyrazol-4-yl)sulfonylspiro[1H-indole-3,3'-piperidine]-2-one
PubChem CID56904006
Molecular FormulaC18H22N4O3S
Molecular Weight374.47 g/mol
Exact Mass374.14
IUPAC Name1'-(1,3,5-trimethylpyrazol-4-yl)sulfonylspiro[1H-indole-3,3'-piperidine]-2-one
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CCCC2(C1)C(=O)Nc1ccccc12
InChIInChI=1S/C18H22N4O3S/c1-12-16(13(2)21(3)20-12)26(24,25)22-10-6-9-18(11-22)14-7-4-5-8-15(14)19-17(18)23/h4-5,7-8H,6,9-11H2,1-3H3,(H,19,23)
InChIKeyLFGGNLNTGOOKAV-UHFFFAOYSA-N
XLogP1.71
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1'-(1,3,5-trimethylpyrazol-4-yl)sulfonylspiro[1H-indole-3,3'-piperidine]-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-1'-(1,3,5-trimethylpyrazol-4-yl)sulfonylspiro[1H-indole-3,3'-piperidine]-2-one
CID 95717935
1'-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 53176973
(3R)-N,N-dimethyl-2-oxospiro[1H-indole-3,3'-piperidine]-1'-sulfonamide
CID 95707296
ethyl (3S)-3-[(2-methylphenyl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxylate
CID 25477508
1-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-1,4-diazepane
CID 43361719
methyl-(2-oxospiro[1H-indole-3,3'-piperidine]-1'-yl)borinic acid
CID 59564965
1'-(2-methylpropyl)spiro[1H-indole-3,3'-piperidine]-2-one
CID 10199060
1-naphthalen-2-ylsulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine
CID 55428799
4-(2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-yl)sulfonylbenzonitrile
CID 53176982
1'-(1-ethyl-5-methylpyrazol-4-yl)sulfonylspiro[1H-indole-3,4'-piperidine]-2-one
CID 56903224
4-(3,3-difluoroazetidin-1-yl)sulfonyl-1,3,5-trimethylpyrazole
CID 122269495
1'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one;hydrochloride
CID 3042074

Frequently Asked Questions

What is the IUPAC name of 1'-(1,3,5-trimethylpyrazol-4-yl)sulfonylspiro[1H-indole-3,3'-piperidine]-2-one?
The IUPAC name of 1'-(1,3,5-trimethylpyrazol-4-yl)sulfonylspiro[1H-indole-3,3'-piperidine]-2-one (CID 56904006) is 1'-(1,3,5-trimethylpyrazol-4-yl)sulfonylspiro[1H-indole-3,3'-piperidine]-2-one.
What is the SMILES notation for 1'-(1,3,5-trimethylpyrazol-4-yl)sulfonylspiro[1H-indole-3,3'-piperidine]-2-one?
The canonical SMILES for 1'-(1,3,5-trimethylpyrazol-4-yl)sulfonylspiro[1H-indole-3,3'-piperidine]-2-one is Cc1nn(C)c(C)c1S(=O)(=O)N1CCCC2(C1)C(=O)Nc1ccccc12.
What is the InChIKey of 1'-(1,3,5-trimethylpyrazol-4-yl)sulfonylspiro[1H-indole-3,3'-piperidine]-2-one?
The InChIKey is LFGGNLNTGOOKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3S/c1-12-16(13(2)21(3)20-12)26(24,25)22-10-6-9-18(11-22)14-7-4-5-8-15(14)19-17(18)23/h4-5,7-8H,6,9-11H2,1-3H3,(H,19,23).
What are the key properties of 1'-(1,3,5-trimethylpyrazol-4-yl)sulfonylspiro[1H-indole-3,3'-piperidine]-2-one?
1'-(1,3,5-trimethylpyrazol-4-yl)sulfonylspiro[1H-indole-3,3'-piperidine]-2-one has a molecular weight of 374.47 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(1,3,5-trimethylpyrazol-4-yl)sulfonylspiro[1H-indole-3,3'-piperidine]-2-one is sourced from PubChem (CID 56904006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).