1'-[2-[5-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]acetyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one

C26H21F5N4O3 — CID 11848649

IUPAC1'-[2-[5-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]acetyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one
SMILESO=C(Cc1cc(-c2cccc(F)c2F)cn(CC(F)(F)F)c1=O)N1CCC2(CC1)C(=O)Nc1ncccc12
InChIInChI=1S/C26H21F5N4O3/c27-19-5-1-3-17(21(19)28)16-11-15(23(37)35(13-16)14-26(29,30)31)12-20(36)34-9-6-25(7-10-34)18-4-2-8-32-22(18)33-24(25)38/h1-5,8,11,13H,6-7,9-10,12,14H2,(H,32,33,38)
InChIKeyACHJAMHZGHHARP-UHFFFAOYSA-N
MW532.47 g/mol
LogP3.81
Rot. Bonds4

About 1'-[2-[5-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]acetyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one

1'-[2-[5-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]acetyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one (PubChem CID 11848649) has the molecular formula C26H21F5N4O3 and a molecular weight of 532.47 g/mol. Its IUPAC name is 1'-[2-[5-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]acetyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-[2-[5-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]acetyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one
PubChem CID11848649
Molecular FormulaC26H21F5N4O3
Molecular Weight532.47 g/mol
Exact Mass532.15
IUPAC Name1'-[2-[5-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]acetyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one
SMILESO=C(Cc1cc(-c2cccc(F)c2F)cn(CC(F)(F)F)c1=O)N1CCC2(CC1)C(=O)Nc1ncccc12
InChIInChI=1S/C26H21F5N4O3/c27-19-5-1-3-17(21(19)28)16-11-15(23(37)35(13-16)14-26(29,30)31)12-20(36)34-9-6-25(7-10-34)18-4-2-8-32-22(18)33-24(25)38/h1-5,8,11,13H,6-7,9-10,12,14H2,(H,32,33,38)
InChIKeyACHJAMHZGHHARP-UHFFFAOYSA-N
XLogP3.81
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.47
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1'-[2-[5-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]acetyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1'-[2-[5-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]acetyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one?
The IUPAC name of 1'-[2-[5-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]acetyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one (CID 11848649) is 1'-[2-[5-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]acetyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-[2-[5-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]acetyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-[2-[5-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]acetyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one is O=C(Cc1cc(-c2cccc(F)c2F)cn(CC(F)(F)F)c1=O)N1CCC2(CC1)C(=O)Nc1ncccc12.
What is the InChIKey of 1'-[2-[5-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]acetyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one?
The InChIKey is ACHJAMHZGHHARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F5N4O3/c27-19-5-1-3-17(21(19)28)16-11-15(23(37)35(13-16)14-26(29,30)31)12-20(36)34-9-6-25(7-10-34)18-4-2-8-32-22(18)33-24(25)38/h1-5,8,11,13H,6-7,9-10,12,14H2,(H,32,33,38).
What are the key properties of 1'-[2-[5-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]acetyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one?
1'-[2-[5-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]acetyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one has a molecular weight of 532.47 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[2-[5-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]acetyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one is sourced from PubChem (CID 11848649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).