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

About 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

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 (PubChem CID 170649475) has the molecular formula C24H25FN4O4 and a molecular weight of 452.49 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name	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
PubChem CID	170649475
Molecular Formula	C24H25FN4O4
Molecular Weight	452.49 g/mol
Exact Mass	452.19
IUPAC Name	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
SMILES	C[C@@H]1CN(Cc2ccnc(-c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)c2F)C[C@H]1O
InChI	InChI=1S/C24H25FN4O4/c1-13-9-28(12-19(13)30)10-15-6-7-26-22(21(15)25)14-2-3-17-16(8-14)11-29(24(17)33)18-4-5-20(31)27-23(18)32/h2-3,6-8,13,18-19,30H,4-5,9-12H2,1H3,(H,27,31,32)/t13-,18?,19-/m1/s1
InChIKey	WURYRPZZSPSBMB-MALVVIPZSA-N
XLogP	1.46
TPSA	102.84 Å²
H-Bond Donors	2
H-Bond Acceptors	6
Rotatable Bonds	4
Heavy Atoms	33
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.49
LogP ≤ 5	1.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is C[C@@H]1CN(Cc2ccnc(-c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)c2F)C[C@H]1O.

What is the InChIKey of 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?

The InChIKey is WURYRPZZSPSBMB-MALVVIPZSA-N. The full InChI is InChI=1S/C24H25FN4O4/c1-13-9-28(12-19(13)30)10-15-6-7-26-22(21(15)25)14-2-3-17-16(8-14)11-29(24(17)33)18-4-5-20(31)27-23(18)32/h2-3,6-8,13,18-19,30H,4-5,9-12H2,1H3,(H,27,31,32)/t13-,18?,19-/m1/s1.

What are the key properties of 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?

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 has a molecular weight of 452.49 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 170649475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).