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

C20H26N4O3S — CID 91904601

IUPAC1-ethyl-1'-(1,3,5-trimethylpyrazol-4-yl)sulfonylspiro[indole-3,4'-piperidine]-2-one
SMILESCCN1C(=O)C2(CCN(S(=O)(=O)c3c(C)nn(C)c3C)CC2)c2ccccc21
InChIInChI=1S/C20H26N4O3S/c1-5-24-17-9-7-6-8-16(17)20(19(24)25)10-12-23(13-11-20)28(26,27)18-14(2)21-22(4)15(18)3/h6-9H,5,10-13H2,1-4H3
InChIKeyIZOGFSPKJWILDE-UHFFFAOYSA-N
MW402.52 g/mol
LogP2.13
Rot. Bonds3

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

1-ethyl-1'-(1,3,5-trimethylpyrazol-4-yl)sulfonylspiro[indole-3,4'-piperidine]-2-one (PubChem CID 91904601) has the molecular formula C20H26N4O3S and a molecular weight of 402.52 g/mol. Its IUPAC name is 1-ethyl-1'-(1,3,5-trimethylpyrazol-4-yl)sulfonylspiro[indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1-ethyl-1'-(1,3,5-trimethylpyrazol-4-yl)sulfonylspiro[indole-3,4'-piperidine]-2-one
PubChem CID91904601
Molecular FormulaC20H26N4O3S
Molecular Weight402.52 g/mol
Exact Mass402.17
IUPAC Name1-ethyl-1'-(1,3,5-trimethylpyrazol-4-yl)sulfonylspiro[indole-3,4'-piperidine]-2-one
SMILESCCN1C(=O)C2(CCN(S(=O)(=O)c3c(C)nn(C)c3C)CC2)c2ccccc21
InChIInChI=1S/C20H26N4O3S/c1-5-24-17-9-7-6-8-16(17)20(19(24)25)10-12-23(13-11-20)28(26,27)18-14(2)21-22(4)15(18)3/h6-9H,5,10-13H2,1-4H3
InChIKeyIZOGFSPKJWILDE-UHFFFAOYSA-N
XLogP2.13
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3,5-trimethyl-N-(4-propan-2-ylphenyl)pyrazole-4-sulfonamide
CID 9551544
N-tert-butyl-1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3,5-dimethylpyrazole-4-sulfonamide
CID 8901127
US9156811, Ddd71237
CID 17484664
1-({1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl}carbonyl)indoline
CID 3236961
1,3,5-trimethyl-N-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]-N-(4-propan-2-ylphenyl)pyrazole-4-sulfonamide
CID 9551543
2,3-dihydroindol-1-yl-(1-methyl-5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-3-yl)methanone
CID 52095445
1'-[(1,5-dimethyl-1H-pyrazol-3-yl)carbonyl]-1-methylspiro[indole-3,4'-piperidin]-2(1H)-one
CID 91914359
2-oxo-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 8015534
US9156811, Ddd71637
CID 16303962
N-(4-isopropylphenyl)-1,3,5-trimethyl-N-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1H-pyrazole-4-sulfonamide
CID 6622645
1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N,N,3,5-tetramethylpyrazole-4-sulfonamide
CID 8005415
1-(2,3-dihydro-1H-indol-1-yl)-3-[3,5-dimethyl-4-(pyrrolidine-1-sulfonyl)-1H-pyrazol-1-yl]propan-1-one
CID 45106989

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1'-(1,3,5-trimethylpyrazol-4-yl)sulfonylspiro[indole-3,4'-piperidine]-2-one?
The IUPAC name of 1-ethyl-1'-(1,3,5-trimethylpyrazol-4-yl)sulfonylspiro[indole-3,4'-piperidine]-2-one (CID 91904601) is 1-ethyl-1'-(1,3,5-trimethylpyrazol-4-yl)sulfonylspiro[indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 1-ethyl-1'-(1,3,5-trimethylpyrazol-4-yl)sulfonylspiro[indole-3,4'-piperidine]-2-one?
The canonical SMILES for 1-ethyl-1'-(1,3,5-trimethylpyrazol-4-yl)sulfonylspiro[indole-3,4'-piperidine]-2-one is CCN1C(=O)C2(CCN(S(=O)(=O)c3c(C)nn(C)c3C)CC2)c2ccccc21.
What is the InChIKey of 1-ethyl-1'-(1,3,5-trimethylpyrazol-4-yl)sulfonylspiro[indole-3,4'-piperidine]-2-one?
The InChIKey is IZOGFSPKJWILDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3S/c1-5-24-17-9-7-6-8-16(17)20(19(24)25)10-12-23(13-11-20)28(26,27)18-14(2)21-22(4)15(18)3/h6-9H,5,10-13H2,1-4H3.
What are the key properties of 1-ethyl-1'-(1,3,5-trimethylpyrazol-4-yl)sulfonylspiro[indole-3,4'-piperidine]-2-one?
1-ethyl-1'-(1,3,5-trimethylpyrazol-4-yl)sulfonylspiro[indole-3,4'-piperidine]-2-one has a molecular weight of 402.52 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1'-(1,3,5-trimethylpyrazol-4-yl)sulfonylspiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 91904601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).