3-[6-[3-fluoro-4-[(3-hydroxy-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]-2-pyridinyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C25H26FN5O4 — CID 170649491

IUPAC3-[6-[3-fluoro-4-[(3-hydroxy-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]-2-pyridinyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3cc(-c4nccc(CN5C6CCC5CN(O)C6)c4F)ccc3C2=O)C(=O)N1
InChIInChI=1S/C25H26FN5O4/c26-22-15(10-30-17-2-3-18(30)13-29(35)12-17)7-8-27-23(22)14-1-4-19-16(9-14)11-31(25(19)34)20-5-6-21(32)28-24(20)33/h1,4,7-9,17-18,20,35H,2-3,5-6,10-13H2,(H,28,32,33)
InChIKeyFCQSNVPOJOOLKA-UHFFFAOYSA-N
MW479.51 g/mol
LogP1.69
Rot. Bonds4

About 3-[6-[3-fluoro-4-[(3-hydroxy-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]-2-pyridinyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[6-[3-fluoro-4-[(3-hydroxy-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]-2-pyridinyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 170649491) has the molecular formula C25H26FN5O4 and a molecular weight of 479.51 g/mol. Its IUPAC name is 3-[6-[3-fluoro-4-[(3-hydroxy-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]-2-pyridinyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[6-[3-fluoro-4-[(3-hydroxy-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]-2-pyridinyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID170649491
Molecular FormulaC25H26FN5O4
Molecular Weight479.51 g/mol
Exact Mass479.20
IUPAC Name3-[6-[3-fluoro-4-[(3-hydroxy-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]-2-pyridinyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3cc(-c4nccc(CN5C6CCC5CN(O)C6)c4F)ccc3C2=O)C(=O)N1
InChIInChI=1S/C25H26FN5O4/c26-22-15(10-30-17-2-3-18(30)13-29(35)12-17)7-8-27-23(22)14-1-4-19-16(9-14)11-31(25(19)34)20-5-6-21(32)28-24(20)33/h1,4,7-9,17-18,20,35H,2-3,5-6,10-13H2,(H,28,32,33)
InChIKeyFCQSNVPOJOOLKA-UHFFFAOYSA-N
XLogP1.69
TPSA106.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.51
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-[6-[3-fluoro-4-[(3-hydroxy-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]-2-pyridinyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione with MolForge

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Launch Full Analysis

Related Compounds

(3S)-3-[6-[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-3-fluoro-2-pyridinyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 165403346
3-[6-[3-fluoro-4-[[(3S,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]methyl]-2-pyridinyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 170649475
3-[6-[3-fluoro-4-[[2-(4-fluorophenyl)azetidin-1-yl]methyl]-2-pyridinyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 170649469
3-[6-[3-fluoro-4-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-2-pyridinyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 165403445
3-[6-[3-fluoro-4-[(4-fluoro-4-phenylpiperidin-1-yl)methyl]-2-pyridinyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 170649525
3-[6-[4-[(8-chloro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-3-fluoro-2-pyridinyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 170649533
3-[6-[3-fluoro-4-[[4-(4-fluorophenyl)-4-hydroxy-2-methylpyrrolidin-1-yl]methyl]-2-pyridinyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 170649394
3-[6-[4-[(7-acetyl-2,7-diazaspiro[3.4]octan-2-yl)methyl]-3-fluoro-2-pyridinyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 170649527
methyl 1-[[2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3-fluoro-4-pyridinyl]methyl]-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine-6-carboxylate
CID 170649458
tert-butyl 2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3-fluoro-4-pyridinyl]methyl]-2,8-diazaspiro[3.5]nonane-8-carboxylate
CID 170649405
tert-butyl 2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3-fluoro-4-pyridinyl]methyl]-2,5-diazaspiro[3.5]nonane-5-carboxylate
CID 165403350
3-(3-oxo-6-pyrido[3,4-b]pyrazin-5-yl-1H-isoindol-2-yl)piperidine-2,6-dione
CID 167929770

Frequently Asked Questions

What is the IUPAC name of 3-[6-[3-fluoro-4-[(3-hydroxy-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]-2-pyridinyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[6-[3-fluoro-4-[(3-hydroxy-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]-2-pyridinyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 170649491) is 3-[6-[3-fluoro-4-[(3-hydroxy-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]-2-pyridinyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[6-[3-fluoro-4-[(3-hydroxy-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]-2-pyridinyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[6-[3-fluoro-4-[(3-hydroxy-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]-2-pyridinyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is O=C1CCC(N2Cc3cc(-c4nccc(CN5C6CCC5CN(O)C6)c4F)ccc3C2=O)C(=O)N1.
What is the InChIKey of 3-[6-[3-fluoro-4-[(3-hydroxy-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]-2-pyridinyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is FCQSNVPOJOOLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN5O4/c26-22-15(10-30-17-2-3-18(30)13-29(35)12-17)7-8-27-23(22)14-1-4-19-16(9-14)11-31(25(19)34)20-5-6-21(32)28-24(20)33/h1,4,7-9,17-18,20,35H,2-3,5-6,10-13H2,(H,28,32,33).
What are the key properties of 3-[6-[3-fluoro-4-[(3-hydroxy-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]-2-pyridinyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[6-[3-fluoro-4-[(3-hydroxy-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]-2-pyridinyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 479.51 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[3-fluoro-4-[(3-hydroxy-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]-2-pyridinyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 170649491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).