formic acid;1'-[2-(4-hydroxyphenyl)acetyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one

C25H23N3O5 — CID 171324888

IUPACformic acid;1'-[2-(4-hydroxyphenyl)acetyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESO=C(Cc1ccc(O)cc1)N1CCC2(C(=O)Nc3ccccc32)C1c1cccnc1.O=CO
InChIInChI=1S/C24H21N3O3.CH2O2/c28-18-9-7-16(8-10-18)14-21(29)27-13-11-24(22(27)17-4-3-12-25-15-17)19-5-1-2-6-20(19)26-23(24)30;2-1-3/h1-10,12,15,22,28H,11,13-14H2,(H,26,30);1H,(H,2,3)
InChIKeyXHXHMFUHFAQUQT-UHFFFAOYSA-N
MW445.48 g/mol
LogP2.89
Rot. Bonds3

About formic acid;1'-[2-(4-hydroxyphenyl)acetyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one

formic acid;1'-[2-(4-hydroxyphenyl)acetyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 171324888) has the molecular formula C25H23N3O5 and a molecular weight of 445.48 g/mol. Its IUPAC name is formic acid;1'-[2-(4-hydroxyphenyl)acetyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Nameformic acid;1'-[2-(4-hydroxyphenyl)acetyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
PubChem CID171324888
Molecular FormulaC25H23N3O5
Molecular Weight445.48 g/mol
Exact Mass445.16
IUPAC Nameformic acid;1'-[2-(4-hydroxyphenyl)acetyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESO=C(Cc1ccc(O)cc1)N1CCC2(C(=O)Nc3ccccc32)C1c1cccnc1.O=CO
InChIInChI=1S/C24H21N3O3.CH2O2/c28-18-9-7-16(8-10-18)14-21(29)27-13-11-24(22(27)17-4-3-12-25-15-17)19-5-1-2-6-20(19)26-23(24)30;2-1-3/h1-10,12,15,22,28H,11,13-14H2,(H,26,30);1H,(H,2,3)
InChIKeyXHXHMFUHFAQUQT-UHFFFAOYSA-N
XLogP2.89
TPSA119.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.48
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1'-[3-(4-hydroxyphenyl)propanoyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166616556
formic acid;1'-[3-(1H-pyrazol-4-yl)propanoyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 171330618
1'-(2-cyclobutylacetyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166621931
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'-(2-ethoxyacetyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166615107
formic acid;1'-[2-(methylamino)pyrimidine-5-carbonyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 171325696
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-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166616771
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 formic acid;1'-[2-(4-hydroxyphenyl)acetyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of formic acid;1'-[2-(4-hydroxyphenyl)acetyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one (CID 171324888) is formic acid;1'-[2-(4-hydroxyphenyl)acetyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for formic acid;1'-[2-(4-hydroxyphenyl)acetyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for formic acid;1'-[2-(4-hydroxyphenyl)acetyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one is O=C(Cc1ccc(O)cc1)N1CCC2(C(=O)Nc3ccccc32)C1c1cccnc1.O=CO.
What is the InChIKey of formic acid;1'-[2-(4-hydroxyphenyl)acetyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The InChIKey is XHXHMFUHFAQUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3.CH2O2/c28-18-9-7-16(8-10-18)14-21(29)27-13-11-24(22(27)17-4-3-12-25-15-17)19-5-1-2-6-20(19)26-23(24)30;2-1-3/h1-10,12,15,22,28H,11,13-14H2,(H,26,30);1H,(H,2,3).
What are the key properties of formic acid;1'-[2-(4-hydroxyphenyl)acetyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
formic acid;1'-[2-(4-hydroxyphenyl)acetyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one has a molecular weight of 445.48 g/mol, XLogP of 2.89, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;1'-[2-(4-hydroxyphenyl)acetyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 171324888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).