1'-[3-(4-hydroxyphenyl)propanoyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one

C25H23N3O3 — CID 166616556

IUPAC1'-[3-(4-hydroxyphenyl)propanoyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESO=C(CCc1ccc(O)cc1)N1CCC2(C(=O)Nc3ccccc32)C1c1cccnc1
InChIInChI=1S/C25H23N3O3/c29-19-10-7-17(8-11-19)9-12-22(30)28-15-13-25(23(28)18-4-3-14-26-16-18)20-5-1-2-6-21(20)27-24(25)31/h1-8,10-11,14,16,23,29H,9,12-13,15H2,(H,27,31)
InChIKeyCNQAEKPOMCRFHA-UHFFFAOYSA-N
MW413.48 g/mol
LogP3.58
Rot. Bonds4

About 1'-[3-(4-hydroxyphenyl)propanoyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one

1'-[3-(4-hydroxyphenyl)propanoyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 166616556) has the molecular formula C25H23N3O3 and a molecular weight of 413.48 g/mol. Its IUPAC name is 1'-[3-(4-hydroxyphenyl)propanoyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name1'-[3-(4-hydroxyphenyl)propanoyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
PubChem CID166616556
Molecular FormulaC25H23N3O3
Molecular Weight413.48 g/mol
Exact Mass413.17
IUPAC Name1'-[3-(4-hydroxyphenyl)propanoyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESO=C(CCc1ccc(O)cc1)N1CCC2(C(=O)Nc3ccccc32)C1c1cccnc1
InChIInChI=1S/C25H23N3O3/c29-19-10-7-17(8-11-19)9-12-22(30)28-15-13-25(23(28)18-4-3-14-26-16-18)20-5-1-2-6-21(20)27-24(25)31/h1-8,10-11,14,16,23,29H,9,12-13,15H2,(H,27,31)
InChIKeyCNQAEKPOMCRFHA-UHFFFAOYSA-N
XLogP3.58
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

formic acid;1'-[2-(4-hydroxyphenyl)acetyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 171324888
formic acid;1'-[3-(1H-pyrazol-4-yl)propanoyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 171330618
1'-(3-cyclopropylpropanoyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166612449
1'-(3-cyclobutylpropanoyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166623782
1'-[3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanoyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166614415
1'-(2-ethoxyacetyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166615107
1'-(2-cyclobutylacetyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166621931
1'-[3-(3-methylpyrazol-1-yl)propanoyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166614030
N-[2-oxo-2-(2-oxo-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-1'-yl)ethyl]methanesulfonamide
CID 166614526
N-[2-oxo-2-(2-oxo-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-1'-yl)ethyl]propanamide
CID 166612704
1'-[2-(3-methyl-2-oxoimidazolidin-1-yl)acetyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166622128
1-[2-oxo-2-(2-oxo-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-1'-yl)ethyl]piperidine-4-carboxamide
CID 166614212

Frequently Asked Questions

What is the IUPAC name of 1'-[3-(4-hydroxyphenyl)propanoyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of 1'-[3-(4-hydroxyphenyl)propanoyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one (CID 166616556) is 1'-[3-(4-hydroxyphenyl)propanoyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for 1'-[3-(4-hydroxyphenyl)propanoyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for 1'-[3-(4-hydroxyphenyl)propanoyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one is O=C(CCc1ccc(O)cc1)N1CCC2(C(=O)Nc3ccccc32)C1c1cccnc1.
What is the InChIKey of 1'-[3-(4-hydroxyphenyl)propanoyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The InChIKey is CNQAEKPOMCRFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3/c29-19-10-7-17(8-11-19)9-12-22(30)28-15-13-25(23(28)18-4-3-14-26-16-18)20-5-1-2-6-21(20)27-24(25)31/h1-8,10-11,14,16,23,29H,9,12-13,15H2,(H,27,31).
What are the key properties of 1'-[3-(4-hydroxyphenyl)propanoyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
1'-[3-(4-hydroxyphenyl)propanoyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one has a molecular weight of 413.48 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[3-(4-hydroxyphenyl)propanoyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 166616556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).