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

C18H22N4O3S — CID 56903224

IUPAC1'-(1-ethyl-5-methylpyrazol-4-yl)sulfonylspiro[1H-indole-3,4'-piperidine]-2-one
SMILESCCn1ncc(S(=O)(=O)N2CCC3(CC2)C(=O)Nc2ccccc23)c1C
InChIInChI=1S/C18H22N4O3S/c1-3-22-13(2)16(12-19-22)26(24,25)21-10-8-18(9-11-21)14-6-4-5-7-15(14)20-17(18)23/h4-7,12H,3,8-11H2,1-2H3,(H,20,23)
InChIKeyGKBFKHONEIFKEL-UHFFFAOYSA-N
MW374.47 g/mol
LogP1.89
Rot. Bonds3

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

1'-(1-ethyl-5-methylpyrazol-4-yl)sulfonylspiro[1H-indole-3,4'-piperidine]-2-one (PubChem CID 56903224) has the molecular formula C18H22N4O3S and a molecular weight of 374.47 g/mol. Its IUPAC name is 1'-(1-ethyl-5-methylpyrazol-4-yl)sulfonylspiro[1H-indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-(1-ethyl-5-methylpyrazol-4-yl)sulfonylspiro[1H-indole-3,4'-piperidine]-2-one
PubChem CID56903224
Molecular FormulaC18H22N4O3S
Molecular Weight374.47 g/mol
Exact Mass374.14
IUPAC Name1'-(1-ethyl-5-methylpyrazol-4-yl)sulfonylspiro[1H-indole-3,4'-piperidine]-2-one
SMILESCCn1ncc(S(=O)(=O)N2CCC3(CC2)C(=O)Nc2ccccc23)c1C
InChIInChI=1S/C18H22N4O3S/c1-3-22-13(2)16(12-19-22)26(24,25)21-10-8-18(9-11-21)14-6-4-5-7-15(14)20-17(18)23/h4-7,12H,3,8-11H2,1-2H3,(H,20,23)
InChIKeyGKBFKHONEIFKEL-UHFFFAOYSA-N
XLogP1.89
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1'-(1-ethyl-5-methylpyrazol-4-yl)sulfonylspiro[1H-indole-3,4'-piperidine]-2-one?
The IUPAC name of 1'-(1-ethyl-5-methylpyrazol-4-yl)sulfonylspiro[1H-indole-3,4'-piperidine]-2-one (CID 56903224) is 1'-(1-ethyl-5-methylpyrazol-4-yl)sulfonylspiro[1H-indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-(1-ethyl-5-methylpyrazol-4-yl)sulfonylspiro[1H-indole-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-(1-ethyl-5-methylpyrazol-4-yl)sulfonylspiro[1H-indole-3,4'-piperidine]-2-one is CCn1ncc(S(=O)(=O)N2CCC3(CC2)C(=O)Nc2ccccc23)c1C.
What is the InChIKey of 1'-(1-ethyl-5-methylpyrazol-4-yl)sulfonylspiro[1H-indole-3,4'-piperidine]-2-one?
The InChIKey is GKBFKHONEIFKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3S/c1-3-22-13(2)16(12-19-22)26(24,25)21-10-8-18(9-11-21)14-6-4-5-7-15(14)20-17(18)23/h4-7,12H,3,8-11H2,1-2H3,(H,20,23).
What are the key properties of 1'-(1-ethyl-5-methylpyrazol-4-yl)sulfonylspiro[1H-indole-3,4'-piperidine]-2-one?
1'-(1-ethyl-5-methylpyrazol-4-yl)sulfonylspiro[1H-indole-3,4'-piperidine]-2-one has a molecular weight of 374.47 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(1-ethyl-5-methylpyrazol-4-yl)sulfonylspiro[1H-indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 56903224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).