5-methoxy-1'-(2-methylpyrazole-3-carbonyl)-6-phenoxyspiro[1H-indole-3,4'-piperidine]-2-one

C24H24N4O4 — CID 134806811

IUPAC5-methoxy-1'-(2-methylpyrazole-3-carbonyl)-6-phenoxyspiro[1H-indole-3,4'-piperidine]-2-one
SMILESCOc1cc2c(cc1Oc1ccccc1)NC(=O)C21CCN(C(=O)c2ccnn2C)CC1
InChIInChI=1S/C24H24N4O4/c1-27-19(8-11-25-27)22(29)28-12-9-24(10-13-28)17-14-20(31-2)21(15-18(17)26-23(24)30)32-16-6-4-3-5-7-16/h3-8,11,14-15H,9-10,12-13H2,1-2H3,(H,26,30)
InChIKeyICPZDWSOAAMMPK-UHFFFAOYSA-N
MW432.48 g/mol
LogP3.35
Rot. Bonds4

About 5-methoxy-1'-(2-methylpyrazole-3-carbonyl)-6-phenoxyspiro[1H-indole-3,4'-piperidine]-2-one

5-methoxy-1'-(2-methylpyrazole-3-carbonyl)-6-phenoxyspiro[1H-indole-3,4'-piperidine]-2-one (PubChem CID 134806811) has the molecular formula C24H24N4O4 and a molecular weight of 432.48 g/mol. Its IUPAC name is 5-methoxy-1'-(2-methylpyrazole-3-carbonyl)-6-phenoxyspiro[1H-indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name5-methoxy-1'-(2-methylpyrazole-3-carbonyl)-6-phenoxyspiro[1H-indole-3,4'-piperidine]-2-one
PubChem CID134806811
Molecular FormulaC24H24N4O4
Molecular Weight432.48 g/mol
Exact Mass432.18
IUPAC Name5-methoxy-1'-(2-methylpyrazole-3-carbonyl)-6-phenoxyspiro[1H-indole-3,4'-piperidine]-2-one
SMILESCOc1cc2c(cc1Oc1ccccc1)NC(=O)C21CCN(C(=O)c2ccnn2C)CC1
InChIInChI=1S/C24H24N4O4/c1-27-19(8-11-25-27)22(29)28-12-9-24(10-13-28)17-14-20(31-2)21(15-18(17)26-23(24)30)32-16-6-4-3-5-7-16/h3-8,11,14-15H,9-10,12-13H2,1-2H3,(H,26,30)
InChIKeyICPZDWSOAAMMPK-UHFFFAOYSA-N
XLogP3.35
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1'-(2-methylpyrazole-3-carbonyl)-6-phenoxyspiro[1H-indole-3,4'-piperidine]-2-one?
The IUPAC name of 5-methoxy-1'-(2-methylpyrazole-3-carbonyl)-6-phenoxyspiro[1H-indole-3,4'-piperidine]-2-one (CID 134806811) is 5-methoxy-1'-(2-methylpyrazole-3-carbonyl)-6-phenoxyspiro[1H-indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 5-methoxy-1'-(2-methylpyrazole-3-carbonyl)-6-phenoxyspiro[1H-indole-3,4'-piperidine]-2-one?
The canonical SMILES for 5-methoxy-1'-(2-methylpyrazole-3-carbonyl)-6-phenoxyspiro[1H-indole-3,4'-piperidine]-2-one is COc1cc2c(cc1Oc1ccccc1)NC(=O)C21CCN(C(=O)c2ccnn2C)CC1.
What is the InChIKey of 5-methoxy-1'-(2-methylpyrazole-3-carbonyl)-6-phenoxyspiro[1H-indole-3,4'-piperidine]-2-one?
The InChIKey is ICPZDWSOAAMMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4/c1-27-19(8-11-25-27)22(29)28-12-9-24(10-13-28)17-14-20(31-2)21(15-18(17)26-23(24)30)32-16-6-4-3-5-7-16/h3-8,11,14-15H,9-10,12-13H2,1-2H3,(H,26,30).
What are the key properties of 5-methoxy-1'-(2-methylpyrazole-3-carbonyl)-6-phenoxyspiro[1H-indole-3,4'-piperidine]-2-one?
5-methoxy-1'-(2-methylpyrazole-3-carbonyl)-6-phenoxyspiro[1H-indole-3,4'-piperidine]-2-one has a molecular weight of 432.48 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1'-(2-methylpyrazole-3-carbonyl)-6-phenoxyspiro[1H-indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 134806811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).