3-[6-[3-fluoro-4-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-2-pyridinyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C25H26F2N4O3 — CID 165403445

IUPAC3-[6-[3-fluoro-4-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-2-pyridinyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCC1(F)CCN(Cc2ccnc(-c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)c2F)CC1
InChIInChI=1S/C25H26F2N4O3/c1-25(27)7-10-30(11-8-25)13-16-6-9-28-22(21(16)26)15-2-3-18-17(12-15)14-31(24(18)34)19-4-5-20(32)29-23(19)33/h2-3,6,9,12,19H,4-5,7-8,10-11,13-14H2,1H3,(H,29,32,33)
InChIKeyDOPGHCQYRFOTMW-UHFFFAOYSA-N
MW468.50 g/mol
LogP2.97
Rot. Bonds4

About 3-[6-[3-fluoro-4-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-2-pyridinyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[6-[3-fluoro-4-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-2-pyridinyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 165403445) has the molecular formula C25H26F2N4O3 and a molecular weight of 468.50 g/mol. Its IUPAC name is 3-[6-[3-fluoro-4-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-2-pyridinyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[6-[3-fluoro-4-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-2-pyridinyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID165403445
Molecular FormulaC25H26F2N4O3
Molecular Weight468.50 g/mol
Exact Mass468.20
IUPAC Name3-[6-[3-fluoro-4-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-2-pyridinyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCC1(F)CCN(Cc2ccnc(-c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)c2F)CC1
InChIInChI=1S/C25H26F2N4O3/c1-25(27)7-10-30(11-8-25)13-16-6-9-28-22(21(16)26)15-2-3-18-17(12-15)14-31(24(18)34)19-4-5-20(32)29-23(19)33/h2-3,6,9,12,19H,4-5,7-8,10-11,13-14H2,1H3,(H,29,32,33)
InChIKeyDOPGHCQYRFOTMW-UHFFFAOYSA-N
XLogP2.97
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.50
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

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
(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-[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
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-[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
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-[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
3-[6-[3-chloro-4-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-2-pyridinyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 165403320
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
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

Frequently Asked Questions

What is the IUPAC name of 3-[6-[3-fluoro-4-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-2-pyridinyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 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) is 3-[6-[3-fluoro-4-[(4-fluoro-4-methylpiperidin-1-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-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-2-pyridinyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[6-[3-fluoro-4-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-2-pyridinyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is CC1(F)CCN(Cc2ccnc(-c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)c2F)CC1.
What is the InChIKey of 3-[6-[3-fluoro-4-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-2-pyridinyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is DOPGHCQYRFOTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F2N4O3/c1-25(27)7-10-30(11-8-25)13-16-6-9-28-22(21(16)26)15-2-3-18-17(12-15)14-31(24(18)34)19-4-5-20(32)29-23(19)33/h2-3,6,9,12,19H,4-5,7-8,10-11,13-14H2,1H3,(H,29,32,33).
What are the key properties of 3-[6-[3-fluoro-4-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-2-pyridinyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[6-[3-fluoro-4-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-2-pyridinyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 468.50 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[3-fluoro-4-[(4-fluoro-4-methylpiperidin-1-yl)methyl]-2-pyridinyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 165403445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).