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

C21H25FN4O — CID 11595790

IUPAC6-fluoro-3-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,3-dihydroindol-2-one
SMILESO=C1Nc2cc(F)ccc2C1CCCCN1CCN(c2ccccn2)CC1
InChIInChI=1S/C21H25FN4O/c22-16-7-8-17-18(21(27)24-19(17)15-16)5-2-4-10-25-11-13-26(14-12-25)20-6-1-3-9-23-20/h1,3,6-9,15,18H,2,4-5,10-14H2,(H,24,27)
InChIKeyNDEQQLAZHRZSEI-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.25
Rot. Bonds6

About 6-fluoro-3-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,3-dihydroindol-2-one

6-fluoro-3-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,3-dihydroindol-2-one (PubChem CID 11595790) has the molecular formula C21H25FN4O and a molecular weight of 368.46 g/mol. Its IUPAC name is 6-fluoro-3-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-fluoro-3-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,3-dihydroindol-2-one
PubChem CID11595790
Molecular FormulaC21H25FN4O
Molecular Weight368.46 g/mol
Exact Mass368.20
IUPAC Name6-fluoro-3-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,3-dihydroindol-2-one
SMILESO=C1Nc2cc(F)ccc2C1CCCCN1CCN(c2ccccn2)CC1
InChIInChI=1S/C21H25FN4O/c22-16-7-8-17-18(21(27)24-19(17)15-16)5-2-4-10-25-11-13-26(14-12-25)20-6-1-3-9-23-20/h1,3,6-9,15,18H,2,4-5,10-14H2,(H,24,27)
InChIKeyNDEQQLAZHRZSEI-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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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,3-dihydroindol-2-one?
The IUPAC name of 6-fluoro-3-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,3-dihydroindol-2-one (CID 11595790) is 6-fluoro-3-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-fluoro-3-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 6-fluoro-3-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,3-dihydroindol-2-one is O=C1Nc2cc(F)ccc2C1CCCCN1CCN(c2ccccn2)CC1.
What is the InChIKey of 6-fluoro-3-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,3-dihydroindol-2-one?
The InChIKey is NDEQQLAZHRZSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O/c22-16-7-8-17-18(21(27)24-19(17)15-16)5-2-4-10-25-11-13-26(14-12-25)20-6-1-3-9-23-20/h1,3,6-9,15,18H,2,4-5,10-14H2,(H,24,27).
What are the key properties of 6-fluoro-3-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,3-dihydroindol-2-one?
6-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 6-fluoro-3-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 11595790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).