1-[3-ethoxy-4-(1H-pyrazol-4-yl)phenyl]-3-(5-methoxy-2,3-dihydroindol-1-yl)pyrrolidin-2-one

C24H26N4O3 — CID 134254296

IUPAC1-[3-ethoxy-4-(1H-pyrazol-4-yl)phenyl]-3-(5-methoxy-2,3-dihydroindol-1-yl)pyrrolidin-2-one
SMILESCCOc1cc(N2CCC(N3CCc4cc(OC)ccc43)C2=O)ccc1-c1cn[nH]c1
InChIInChI=1S/C24H26N4O3/c1-3-31-23-13-18(4-6-20(23)17-14-25-26-15-17)27-11-9-22(24(27)29)28-10-8-16-12-19(30-2)5-7-21(16)28/h4-7,12-15,22H,3,8-11H2,1-2H3,(H,25,26)
InChIKeyPZSVONOPMCUBOW-UHFFFAOYSA-N
MW418.50 g/mol
LogP3.65
Rot. Bonds6

About 1-[3-ethoxy-4-(1H-pyrazol-4-yl)phenyl]-3-(5-methoxy-2,3-dihydroindol-1-yl)pyrrolidin-2-one

1-[3-ethoxy-4-(1H-pyrazol-4-yl)phenyl]-3-(5-methoxy-2,3-dihydroindol-1-yl)pyrrolidin-2-one (PubChem CID 134254296) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is 1-[3-ethoxy-4-(1H-pyrazol-4-yl)phenyl]-3-(5-methoxy-2,3-dihydroindol-1-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-ethoxy-4-(1H-pyrazol-4-yl)phenyl]-3-(5-methoxy-2,3-dihydroindol-1-yl)pyrrolidin-2-one
PubChem CID134254296
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Name1-[3-ethoxy-4-(1H-pyrazol-4-yl)phenyl]-3-(5-methoxy-2,3-dihydroindol-1-yl)pyrrolidin-2-one
SMILESCCOc1cc(N2CCC(N3CCc4cc(OC)ccc43)C2=O)ccc1-c1cn[nH]c1
InChIInChI=1S/C24H26N4O3/c1-3-31-23-13-18(4-6-20(23)17-14-25-26-15-17)27-11-9-22(24(27)29)28-10-8-16-12-19(30-2)5-7-21(16)28/h4-7,12-15,22H,3,8-11H2,1-2H3,(H,25,26)
InChIKeyPZSVONOPMCUBOW-UHFFFAOYSA-N
XLogP3.65
TPSA70.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-ethoxy-4-(1H-pyrazol-4-yl)phenyl]-3-(5-methoxy-2,3-dihydroindol-1-yl)pyrrolidin-2-one?
The IUPAC name of 1-[3-ethoxy-4-(1H-pyrazol-4-yl)phenyl]-3-(5-methoxy-2,3-dihydroindol-1-yl)pyrrolidin-2-one (CID 134254296) is 1-[3-ethoxy-4-(1H-pyrazol-4-yl)phenyl]-3-(5-methoxy-2,3-dihydroindol-1-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-[3-ethoxy-4-(1H-pyrazol-4-yl)phenyl]-3-(5-methoxy-2,3-dihydroindol-1-yl)pyrrolidin-2-one?
The canonical SMILES for 1-[3-ethoxy-4-(1H-pyrazol-4-yl)phenyl]-3-(5-methoxy-2,3-dihydroindol-1-yl)pyrrolidin-2-one is CCOc1cc(N2CCC(N3CCc4cc(OC)ccc43)C2=O)ccc1-c1cn[nH]c1.
What is the InChIKey of 1-[3-ethoxy-4-(1H-pyrazol-4-yl)phenyl]-3-(5-methoxy-2,3-dihydroindol-1-yl)pyrrolidin-2-one?
The InChIKey is PZSVONOPMCUBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-3-31-23-13-18(4-6-20(23)17-14-25-26-15-17)27-11-9-22(24(27)29)28-10-8-16-12-19(30-2)5-7-21(16)28/h4-7,12-15,22H,3,8-11H2,1-2H3,(H,25,26).
What are the key properties of 1-[3-ethoxy-4-(1H-pyrazol-4-yl)phenyl]-3-(5-methoxy-2,3-dihydroindol-1-yl)pyrrolidin-2-one?
1-[3-ethoxy-4-(1H-pyrazol-4-yl)phenyl]-3-(5-methoxy-2,3-dihydroindol-1-yl)pyrrolidin-2-one has a molecular weight of 418.50 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethoxy-4-(1H-pyrazol-4-yl)phenyl]-3-(5-methoxy-2,3-dihydroindol-1-yl)pyrrolidin-2-one is sourced from PubChem (CID 134254296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).