5-fluoro-3-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,3-dihydroindol-2-one

C21H25FN4O — CID 11610343

IUPAC5-fluoro-3-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccc(F)cc2C1CCCCN1CCN(c2ccccn2)CC1
InChIInChI=1S/C21H25FN4O/c22-16-7-8-19-18(15-16)17(21(27)24-19)5-2-4-10-25-11-13-26(14-12-25)20-6-1-3-9-23-20/h1,3,6-9,15,17H,2,4-5,10-14H2,(H,24,27)
InChIKeySPAMBMCKMBKRGR-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.25
Rot. Bonds6

About 5-fluoro-3-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,3-dihydroindol-2-one

5-fluoro-3-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,3-dihydroindol-2-one (PubChem CID 11610343) has the molecular formula C21H25FN4O and a molecular weight of 368.46 g/mol. Its IUPAC name is 5-fluoro-3-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-fluoro-3-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,3-dihydroindol-2-one
PubChem CID11610343
Molecular FormulaC21H25FN4O
Molecular Weight368.46 g/mol
Exact Mass368.20
IUPAC Name5-fluoro-3-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccc(F)cc2C1CCCCN1CCN(c2ccccn2)CC1
InChIInChI=1S/C21H25FN4O/c22-16-7-8-19-18(15-16)17(21(27)24-19)5-2-4-10-25-11-13-26(14-12-25)20-6-1-3-9-23-20/h1,3,6-9,15,17H,2,4-5,10-14H2,(H,24,27)
InChIKeySPAMBMCKMBKRGR-UHFFFAOYSA-N
XLogP3.25
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Telcagepant
CID 11319053
Gnf6231
CID 46927297
N-(5-methylpyridin-2-yl)-2,2-diphenylacetamide
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Indole naphthyridinone 21
CID 6539896
N,N-dimethyl-2-[3-[4-(2-propan-2-ylphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide
CID 10645210
N-[(3R,6S)-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)-2-oxoazepan-3-yl]-4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
CID 11364735
N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(pyridin-2-ylmethyl)azepan-3-yl]-4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
CID 11387595
N-{(3R,6S)-6-(2,3-difluorophenyl)-1-[2-(methylthio)ethyl]-2-oxoazepan-3-yl}-4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
CID 11432931
4-(2-Cyclohexylaminopyridin-4-yl)-6-(piperazin-1-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
CID 46901212
2''-Phenylamino-6-piperazin-1-yl[2,4'']bipyridinyl-4-carboxylic Acid Methyl Amide
CID 46901384
2-[(2R)-2-(3,5-difluorophenyl)-2,4,5,5-tetramethyl-6-oxopiperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide
CID 50939608
2-[(6R)-6-(3,5-difluorophenyl)-3,3,4-trimethyl-2-oxopiperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide
CID 57977594

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-fluoro-3-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,3-dihydroindol-2-one (CID 11610343) is 5-fluoro-3-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-fluoro-3-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-fluoro-3-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,3-dihydroindol-2-one is O=C1Nc2ccc(F)cc2C1CCCCN1CCN(c2ccccn2)CC1.
What is the InChIKey of 5-fluoro-3-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,3-dihydroindol-2-one?
The InChIKey is SPAMBMCKMBKRGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O/c22-16-7-8-19-18(15-16)17(21(27)24-19)5-2-4-10-25-11-13-26(14-12-25)20-6-1-3-9-23-20/h1,3,6-9,15,17H,2,4-5,10-14H2,(H,24,27).
What are the key properties of 5-fluoro-3-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,3-dihydroindol-2-one?
5-fluoro-3-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,3-dihydroindol-2-one has a molecular weight of 368.46 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 11610343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).